 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer03_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer03_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-117660.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    117661.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer03_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer03_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.534503000000     -0.540241000000      0.250726000000
  C                                                 1.208047000000      0.686254000000     -0.018994000000
  C                                                -0.871111000000     -0.548582000000      0.352837000000
  C                                                -1.615360000000      0.600511000000      0.194237000000
  C                                                -0.937903000000      1.810722000000     -0.077253000000
  C                                                 0.429321000000      1.854269000000     -0.179299000000
  C                                                 1.312272000000     -1.716102000000      0.408925000000
  H                                                -1.366601000000     -1.491361000000      0.557454000000
  H                                                -1.515348000000      2.718805000000     -0.203162000000
  H                                                 0.928391000000      2.793066000000     -0.386339000000
  C                                                -3.123514000000      0.580399000000      0.330991000000
  C                                                -3.582702000000      0.341624000000      1.771049000000
  C                                                -3.808238000000     -0.400692000000     -0.629910000000
  H                                                -3.495206000000      1.561723000000      0.013814000000
  H                                                -3.241865000000     -0.630545000000      2.127829000000
  H                                                -4.668885000000      0.361293000000      1.833837000000
  H                                                -3.169487000000      1.109726000000      2.424876000000
  O                                                -4.830838000000     -0.974186000000     -0.383978000000
  O                                                -3.217917000000     -0.549143000000     -1.838643000000
  H                                                -2.355614000000     -0.107100000000     -1.835698000000
  C                                                 2.671053000000     -1.679537000000      0.307450000000
  C                                                 3.338655000000     -0.457152000000      0.039453000000
  C                                                 2.621063000000      0.703564000000     -0.121448000000
  O                                                 4.689861000000     -0.555418000000     -0.036901000000
  C                                                 5.432086000000      0.622962000000     -0.304199000000
  H                                                 0.808612000000     -2.652916000000      0.612592000000
  H                                                 3.271812000000     -2.571003000000      0.426688000000
  H                                                 3.110374000000      1.644342000000     -0.326736000000
  H                                                 5.158044000000      1.051824000000     -1.272282000000
  H                                                 6.476520000000      0.322638000000     -0.322951000000
  H                                                 5.281369000000      1.371486000000      0.478872000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.425026   0.000000
     3  C    1.409343   2.446625   0.000000
     4  C    2.434423   2.832745   1.378215   0.000000
     5  C    2.793309   2.423412   2.399115   1.413246   0.000000
     6  C    2.435090   1.412930   2.783520   2.427377   1.371718
     7  C    1.418662   2.442395   2.476572   3.739494   4.211668
     8  H    2.147768   3.420981   1.084532   2.137694   3.389747
     9  H    3.876762   3.403243   3.376388   2.157568   1.083472
    10  H    3.416421   2.156805   3.866678   3.408084   2.131569
    11  C    3.826665   4.346966   2.519602   1.514475   2.541113
    12  C    4.476656   5.125846   3.186929   2.534520   3.545339
    13  C    4.433328   5.168925   3.100706   2.547615   3.665325
    14  H    4.551147   4.784152   3.384405   2.119033   2.571010
    15  H    4.218131   5.113172   2.962733   2.810657   4.016268
    16  H    5.513098   6.170649   4.176640   3.474123   4.435463
    17  H    4.600963   5.031365   3.510821   2.765929   3.425202
    18  O    5.420151   6.273628   4.050120   3.626748   4.796325
    19  O    4.294904   4.942316   3.210932   2.832401   3.724234
    20  H    3.590759   4.077929   2.681108   2.273615   2.963119
    21  C    2.421995   2.800700   3.718608   4.856416   5.035322
    22  C    2.813327   2.418736   4.222404   5.068025   4.842089
    23  C    2.457498   1.416831   3.740066   4.249418   3.727464
    24  O    4.165328   3.696633   5.574617   6.414469   6.105078
    25  C    5.064317   4.234130   6.444727   7.065086   6.483752
    26  H    2.160898   3.421769   2.705026   4.078658   4.842547
    27  H    3.412890   3.881685   4.610797   5.830693   6.097144
    28  H    3.426511   2.152089   4.595972   4.867603   4.059368
    29  H    5.121656   4.160150   6.446163   6.945024   6.258162
    30  H    6.031686   5.289746   7.429899   8.113151   7.566269
    31  H    5.122449   4.160453   6.446360   6.945523   6.259517
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724669   0.000000
     8  H    3.867994   2.692384   0.000000
     9  H    2.128316   5.295138   4.280906   0.000000
    10  H    1.083179   4.594824   4.951166   2.451720   0.000000
    11  C    3.808645   4.995617   2.725843   2.728424   4.672086
    12  C    4.710444   5.481823   3.121498   3.717856   5.569008
    13  C    4.821287   5.387866   2.925916   3.894961   5.717960
    14  H    3.940151   5.831989   3.761360   2.303422   4.609180
    15  H    4.997474   4.987307   2.593009   4.430861   5.952578
    16  H    5.680968   6.490006   3.995818   4.433060   6.494013
    17  H    4.504164   5.668821   3.674686   3.497413   5.246825
    18  O    5.975895   6.238344   3.626941   4.966221   6.881926
    19  O    4.672489   5.189987   3.171187   4.031504   5.520092
    20  H    3.787676   4.591362   2.936239   3.370009   4.614791
    21  C    4.213083   1.363055   4.049761   6.093611   4.849989
    22  C    3.722196   2.414061   4.845343   5.805765   4.068733
    23  C    2.476126   2.801609   4.602181   4.601931   2.702096
    24  O    4.896843   3.599174   6.157108   7.018034   5.048080
    25  C    5.153579   4.790891   7.171817   7.257383   4.999937
    26  H    4.591914   1.082947   2.466536   5.909453   5.538134
    27  H    5.294337   2.137982   4.764200   7.162100   5.909811
    28  H    2.693298   3.881617   5.536942   4.750478   2.466611
    29  H    4.919284   5.027707   7.237867   6.961035   4.659054
    30  H    6.239803   5.600139   8.098164   8.344215   6.073612
    31  H    4.920227   5.029098   7.238617   6.962457   4.660246
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530240   0.000000
    13  C    1.534509   2.523193   0.000000
    14  H    1.096245   2.141068   2.088885   0.000000
    15  H    2.170027   1.090218   2.824665   3.056024   0.000000
    16  H    2.166731   1.088174   2.718710   2.476093   1.762544
    17  H    2.160244   1.090054   3.467143   2.474594   1.766923
    18  O    2.417203   2.816619   1.197952   2.893611   2.992006
    19  O    2.447874   3.735828   1.353348   2.822099   3.967379
    20  H    2.399347   3.836108   1.910559   2.739404   4.094995
    21  C    6.219716   6.733251   6.670480   6.972427   6.275091
    22  C    6.551422   7.179251   7.178392   7.125880   6.906129
    23  C    5.763682   6.496095   6.543228   6.177660   6.419737
    24  O    7.904066   8.515202   8.520169   8.454595   8.222164
    25  C    8.579252   9.254848   9.302556   8.982146   9.095244
    26  H    5.098553   5.439939   5.285038   6.053476   4.774127
    27  H    7.130266   7.568029   7.480224   7.939926   7.006229
    28  H    6.358140   7.134076   7.220891   6.614869   7.179898
    29  H    8.448487   9.282612   9.105858   8.763149   9.216810
    30  H    9.625733  10.274879  10.314731  10.054057  10.067864
    31  H    8.443326   9.016767   9.326895   8.790946   8.909136
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776984   0.000000
    18  O    2.593923   3.872007   0.000000
    19  O    4.052322   4.575127   2.213194   0.000000
    20  H    4.363038   4.505058   2.997676   0.969008   0.000000
    21  C    7.769783   6.809948   7.566635   6.368946   5.686213
    22  C    8.246840   7.106424   8.196782   6.820876   6.005283
    23  C    7.555371   6.338707   7.642944   6.213833   5.325706
    24  O    9.587812   8.402524   9.536222   8.110442   7.285285
    25  C   10.328082   9.037248  10.386763   8.862895   7.970367
    26  H    6.370233   5.767766   5.967804   5.162107   4.742112
    27  H    8.580973   7.683154   8.298189   7.164930   6.546536
    28  H    8.175033   6.877051   8.361986   6.866186   5.934774
    29  H   10.329247   9.111537  10.230912   8.546378   7.623359
    30  H   11.352237  10.060592  11.381644   9.850860   8.971046
    31  H   10.092768   8.675968  10.416497   9.016516   8.115846
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.418358   0.000000
    23  C    2.421905   1.374078   0.000000
    24  O    2.336195   1.356924   2.423243   0.000000
    25  C    3.646768   2.380587   2.818110   1.418071   0.000000
    26  H    2.123503   3.398674   3.884553   4.459309   5.740069
    27  H    1.081592   2.150066   3.383300   2.507660   3.924588
    28  H    3.412238   2.145340   1.080107   2.723551   2.536547
    29  H    4.017588   2.703301   2.807486   2.080526   1.093712
    30  H    4.345997   3.253553   3.879466   2.011208   1.086917
    31  H    4.018940   2.703913   2.807798   2.080592   1.093711
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471563   0.000000
    28  H    4.964562   4.285189   0.000000
    29  H    6.016262   4.423714   2.331971   0.000000
    30  H    6.469493   4.382382   3.616332   1.780820   0.000000
    31  H    6.018243   4.425411   2.331668   1.784358   1.780839
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3250595           0.2107099           0.2001932
 Leave Link  202 at Thu Aug 12 19:57:08 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4794098437 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643958060 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.4150140377 Hartrees.
 Leave Link  301 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.46D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.61D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer03_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:57:11 2021, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.762725550497    
 DIIS: error= 1.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.762725550497     IErMin= 1 ErrMin= 1.55D-03
 ErrMax= 1.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-03 BMatP= 7.62D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.167 Goal=   None    Shift=    0.000
 GapD=    0.167 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.74D-02 MaxDP=9.92D+00              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.25D-02    CP:  1.81D+00
 E= -767.768878034648     Delta-E=       -0.006152484151 Rises=F Damp=F
 DIIS: error= 3.46D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.768878034648     IErMin= 2 ErrMin= 3.46D-04
 ErrMax= 3.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-04 BMatP= 7.62D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.46D-03
 Coeff-Com:  0.285D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.284D-01 0.972D+00
 Gap=     0.168 Goal=   None    Shift=    0.000
 RMSDP=2.64D-03 MaxDP=3.50D-01 DE=-6.15D-03 OVMax= 4.96D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.66D-04    CP:  1.83D+00  1.04D+00
 E= -767.768608241268     Delta-E=        0.000269793381 Rises=F Damp=F
 DIIS: error= 5.62D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.768878034648     IErMin= 2 ErrMin= 3.46D-04
 ErrMax= 5.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-04 BMatP= 2.22D-04
 IDIUse=3 WtCom= 2.97D-01 WtEn= 7.03D-01
 Coeff-Com: -0.897D-02 0.627D+00 0.382D+00
 Coeff-En:   0.000D+00 0.690D+00 0.310D+00
 Coeff:     -0.266D-02 0.671D+00 0.332D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=1.90D-04 MaxDP=1.11D-02 DE= 2.70D-04 OVMax= 3.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.28D-04    CP:  1.83D+00  1.04D+00  9.25D-01
 E= -767.769045634236     Delta-E=       -0.000437392968 Rises=F Damp=F
 DIIS: error= 6.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.769045634236     IErMin= 4 ErrMin= 6.28D-05
 ErrMax= 6.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.85D-06 BMatP= 2.22D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.588D-02 0.299D+00 0.135D+00 0.572D+00
 Coeff:     -0.588D-02 0.299D+00 0.135D+00 0.572D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=8.50D-05 MaxDP=5.52D-03 DE=-4.37D-04 OVMax= 7.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.53D-05    CP:  1.83D+00  1.04D+00  9.15D-01  1.18D+00
 E= -767.769051927580     Delta-E=       -0.000006293344 Rises=F Damp=F
 DIIS: error= 2.61D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.769051927580     IErMin= 5 ErrMin= 2.61D-05
 ErrMax= 2.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-06 BMatP= 8.85D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.212D-02 0.679D-01 0.145D-01 0.370D+00 0.550D+00
 Coeff:     -0.212D-02 0.679D-01 0.145D-01 0.370D+00 0.550D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=2.48D-05 MaxDP=2.42D-03 DE=-6.29D-06 OVMax= 4.32D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.52D-05    CP:  1.83D+00  1.04D+00  9.19D-01  1.22D+00  9.77D-01
 E= -767.769053291757     Delta-E=       -0.000001364177 Rises=F Damp=F
 DIIS: error= 5.98D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.769053291757     IErMin= 6 ErrMin= 5.98D-06
 ErrMax= 5.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-07 BMatP= 1.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.625D-03 0.108D-01-0.347D-02 0.160D+00 0.314D+00 0.519D+00
 Coeff:     -0.625D-03 0.108D-01-0.347D-02 0.160D+00 0.314D+00 0.519D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=5.87D-06 MaxDP=3.26D-04 DE=-1.36D-06 OVMax= 1.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.40D-06    CP:  1.83D+00  1.04D+00  9.22D-01  1.22D+00  9.37D-01
                    CP:  9.54D-01
 E= -767.769053418536     Delta-E=       -0.000000126779 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.769053418536     IErMin= 7 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.46D-09 BMatP= 1.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-03-0.820D-03-0.281D-02 0.469D-01 0.105D+00 0.254D+00
 Coeff-Com:  0.598D+00
 Coeff:     -0.111D-03-0.820D-03-0.281D-02 0.469D-01 0.105D+00 0.254D+00
 Coeff:      0.598D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=1.97D-06 MaxDP=1.35D-04 DE=-1.27D-07 OVMax= 4.30D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.83D+00  1.04D+00  9.23D-01  1.22D+00  9.44D-01
                    CP:  9.21D-01  8.67D-01
 E= -767.769053423931     Delta-E=       -0.000000005395 Rises=F Damp=F
 DIIS: error= 1.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.769053423931     IErMin= 8 ErrMin= 1.01D-06
 ErrMax= 1.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-09 BMatP= 8.46D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.480D-05-0.162D-02-0.125D-02 0.112D-01 0.294D-01 0.100D+00
 Coeff-Com:  0.387D+00 0.475D+00
 Coeff:     -0.480D-05-0.162D-02-0.125D-02 0.112D-01 0.294D-01 0.100D+00
 Coeff:      0.387D+00 0.475D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=6.55D-07 MaxDP=3.71D-05 DE=-5.40D-09 OVMax= 2.03D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.81D-07    CP:  1.83D+00  1.04D+00  9.24D-01  1.22D+00  9.42D-01
                    CP:  9.27D-01  8.61D-01  8.87D-01
 E= -767.769053426047     Delta-E=       -0.000000002116 Rises=F Damp=F
 DIIS: error= 2.47D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.769053426047     IErMin= 9 ErrMin= 2.47D-07
 ErrMax= 2.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-10 BMatP= 2.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.632D-05-0.715D-03-0.355D-03 0.162D-02 0.568D-02 0.286D-01
 Coeff-Com:  0.140D+00 0.244D+00 0.580D+00
 Coeff:      0.632D-05-0.715D-03-0.355D-03 0.162D-02 0.568D-02 0.286D-01
 Coeff:      0.140D+00 0.244D+00 0.580D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=2.48D-07 MaxDP=2.26D-05 DE=-2.12D-09 OVMax= 4.80D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.95D-07    CP:  1.83D+00  1.04D+00  9.24D-01  1.22D+00  9.42D-01
                    CP:  9.27D-01  8.74D-01  8.67D-01  8.94D-01
 E= -767.769053426307     Delta-E=       -0.000000000260 Rises=F Damp=F
 DIIS: error= 9.75D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.769053426307     IErMin=10 ErrMin= 9.75D-08
 ErrMax= 9.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-11 BMatP= 1.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.463D-05-0.236D-03-0.564D-04-0.350D-03-0.253D-04 0.557D-02
 Coeff-Com:  0.380D-01 0.894D-01 0.341D+00 0.527D+00
 Coeff:      0.463D-05-0.236D-03-0.564D-04-0.350D-03-0.253D-04 0.557D-02
 Coeff:      0.380D-01 0.894D-01 0.341D+00 0.527D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=7.43D-06 DE=-2.60D-10 OVMax= 1.57D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.42D-08    CP:  1.83D+00  1.04D+00  9.24D-01  1.22D+00  9.42D-01
                    CP:  9.28D-01  8.70D-01  8.83D-01  9.40D-01  8.40D-01
 E= -767.769053426269     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -767.769053426307     IErMin=11 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.58D-13 BMatP= 1.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-05-0.710D-04-0.396D-05-0.267D-03-0.347D-03 0.965D-03
 Coeff-Com:  0.928D-02 0.277D-01 0.120D+00 0.245D+00 0.598D+00
 Coeff:      0.186D-05-0.710D-04-0.396D-05-0.267D-03-0.347D-03 0.965D-03
 Coeff:      0.928D-02 0.277D-01 0.120D+00 0.245D+00 0.598D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=1.48D-06 DE= 3.75D-11 OVMax= 3.85D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.59D-08    CP:  1.83D+00  1.04D+00  9.24D-01  1.22D+00  9.42D-01
                    CP:  9.28D-01  8.71D-01  8.86D-01  9.42D-01  8.61D-01
                    CP:  8.84D-01
 E= -767.769053426186     Delta-E=        0.000000000084 Rises=F Damp=F
 DIIS: error= 8.72D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -767.769053426307     IErMin=12 ErrMin= 8.72D-09
 ErrMax= 8.72D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-13 BMatP= 7.58D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.345D-06-0.511D-05 0.724D-05-0.105D-03-0.208D-03-0.290D-03
 Coeff-Com: -0.437D-03 0.303D-02 0.190D-01 0.672D-01 0.347D+00 0.565D+00
 Coeff:      0.345D-06-0.511D-05 0.724D-05-0.105D-03-0.208D-03-0.290D-03
 Coeff:     -0.437D-03 0.303D-02 0.190D-01 0.672D-01 0.347D+00 0.565D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 RMSDP=7.65D-09 MaxDP=3.81D-07 DE= 8.37D-11 OVMax= 2.35D-07

 SCF Done:  E(RB3LYP) =  -767.769053426     A.U. after   12 cycles
            NFock= 12  Conv=0.76D-08     -V/T= 2.0057
 KE= 7.634197452351D+02 PE=-4.060812728041D+03 EE= 1.393208915342D+03
 Leave Link  502 at Thu Aug 12 20:03:59 2021, MaxMem=  5368709120 cpu:            3252.2 elap:             407.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.99121567D+02

 Leave Link  801 at Thu Aug 12 20:03:59 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 6.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 4.91D-01 1.83D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 1.16D-01 9.35D-02.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 1.83D-02 3.34D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 6.63D-03 2.79D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 5.94D-04 5.98D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 2.57D-05 8.15D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 1.33D-06 1.60D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 3.33D-08 2.81D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 1.08D-09 3.34D-06.
     10 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 1.89D-11 5.78D-07.
      6 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 5.08D-13 8.47D-08.
      2 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 1.08D-13 2.22D-08.
      1 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 3.65D-14 1.60D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.308395D+03
      2 -0.125800D+02  0.181233D+03
      3 -0.104217D+02 -0.848109D+01  0.124226D+03
 Isotropic polarizability for W=    0.088559      204.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.341578D+03 -0.972397D+02 -0.147240D+02
      2  -0.150558D+03  0.791437D+02 -0.121771D+02
      3  -0.191020D+03  0.180960D+02  0.269011D+02
      4  -0.163885D+02  0.130644D+03 -0.453872D+02
      5   0.482563D+02 -0.541616D+02 -0.608970D+02
      6  -0.265750D+02  0.418263D+02  0.270780D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.113787D+02  0.198654D+02 -0.165629D+02
      2  -0.270497D+02 -0.134991D+02 -0.289804D+02
      3   0.498761D+02 -0.619049D+02  0.220942D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.877438D+01  0.540034D+02 -0.898198D+01
      2  -0.629803D+02 -0.188122D+02  0.130123D+03
      3   0.808512D+02 -0.281202D+03  0.275866D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.210393D+01  0.673972D+00  0.655351D+00
      2   0.673972D+00  0.654687D+00  0.383644D+01
      3   0.655351D+00  0.383644D+01 -0.554225D+01
 OR G Eigenvalues:    -7.3848     1.3909     3.2102  Iso=     0.9279
 Eigenvectors:
   (1)  -0.031953  -0.428272   0.903085
   (2)   0.775981  -0.580106  -0.247649
   (3)   0.629946   0.692864   0.350867
 w=    0.088559 a.u., Optical Rotation Beta=      0.9279 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      204.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.17D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.18D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.07D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 1.12D-01 1.47D-01.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 4.12D-03 1.52D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.20D-04 1.64D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 2.48D-06 1.71D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 3.85D-08 2.40D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 3.17D-10 1.81D-06.
     29 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 1.90D-12 1.61D-07.
      8 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 2.69D-14 1.83D-08.
      5 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 9.26D-15 7.01D-09.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 6.16D-15 4.64D-09.
      3 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 7.67D-15 4.76D-09.
      2 vectors produced by pass 12 Test12= 7.66D-14 2.78D-09 XBig12= 5.72D-15 4.73D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 7.21D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 7.21D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.87D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308395D+03 -0.125800D+02 -0.104217D+02
      2  -0.125800D+02  0.181233D+03 -0.848109D+01
      3  -0.104217D+02 -0.848109D+01  0.124226D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.113787D+02  0.198654D+02 -0.165629D+02
      2  -0.270497D+02 -0.134991D+02 -0.289804D+02
      3   0.498761D+02 -0.619049D+02  0.220942D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.341578D+03 -0.972397D+02 -0.147240D+02
      2  -0.150558D+03  0.791437D+02 -0.121771D+02
      3  -0.191020D+03  0.180960D+02  0.269011D+02
      4  -0.163885D+02  0.130644D+03 -0.453872D+02
      5   0.482563D+02 -0.541616D+02 -0.608970D+02
      6  -0.265750D+02  0.418263D+02  0.270780D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.383672D+02  0.697530D+01  0.738708D+00 -0.356796D+02  0.109909D+02
      2   0.697530D+01 -0.322464D+01  0.187877D-01  0.109909D+02 -0.106570D+02
      3   0.738708D+00  0.187877D-01  0.110755D+00  0.118048D+00  0.117948D+01
                 6             7             8             9            10 
      1   0.118048D+00  0.957038D+01 -0.277166D+01 -0.904087D+00  0.468107D+02
      2   0.117948D+01 -0.277166D+01  0.178453D+01 -0.133935D+01 -0.103871D+02
      3   0.526457D+00 -0.904087D+00 -0.133935D+01  0.531531D+00 -0.829910D+00
                11            12            13            14            15 
      1  -0.103871D+02 -0.829910D+00  0.328036D+02 -0.911714D+01 -0.603860D-01
      2   0.694285D+01 -0.709105D+00 -0.911714D+01  0.857024D+01 -0.849021D+00
      3  -0.709105D+00 -0.464984D+00 -0.603860D-01 -0.849021D+00 -0.405012D+00
                16            17            18            19            20 
      1  -0.917477D+01  0.267920D+01  0.147243D+01  0.368203D+02 -0.738734D+01
      2   0.267920D+01 -0.166879D+01  0.120748D+01 -0.738734D+01  0.478772D+01
      3   0.147243D+01  0.120748D+01 -0.293095D+00 -0.368369D+00 -0.534551D+00
                21            22            23            24            25 
      1  -0.368369D+00 -0.287323D+02  0.444771D+01 -0.159675D+00  0.382665D+01
      2  -0.534551D+00  0.444771D+01 -0.553980D+01 -0.183287D+00 -0.907610D+00
      3   0.118127D+00 -0.159675D+00 -0.183287D+00 -0.193135D+01 -0.123288D+01
                26            27            28            29            30 
      1  -0.907610D+00 -0.123288D+01 -0.528877D+02  0.650514D+01  0.797377D+00
      2  -0.364700D+00 -0.278632D+01  0.650514D+01 -0.360337D+01 -0.259255D+00
      3  -0.278632D+01  0.175172D+01  0.797377D+00 -0.259255D+00 -0.232398D+01
                31            32            33            34            35 
      1   0.137581D+02 -0.200353D+01 -0.132475D+01 -0.427008D+01 -0.720971D+00
      2  -0.200353D+01  0.950189D+01 -0.141055D+01 -0.720971D+00 -0.817013D+00
      3  -0.132475D+01 -0.141055D+01  0.274696D+00 -0.661028D+01  0.115888D+01
                36            37            38            39            40 
      1  -0.661028D+01  0.163675D+01 -0.853360D-01  0.169301D-01  0.137895D+02
      2   0.115888D+01 -0.853360D-01 -0.107001D+02  0.171657D+01 -0.214602D+01
      3   0.416013D+00  0.169301D-01  0.171657D+01 -0.246586D+01 -0.643519D+00
                41            42            43            44            45 
      1  -0.214602D+01 -0.643519D+00 -0.325062D+01 -0.389043D+00 -0.510027D+01
      2  -0.919793D+00  0.133290D+01 -0.389043D+00  0.233216D+01  0.334652D+01
      3   0.133290D+01  0.174119D+01 -0.510027D+01  0.334652D+01 -0.760495D+00
                46            47            48            49            50 
      1   0.429206D+01 -0.217293D+01  0.273139D+00  0.300286D+01 -0.246364D+01
      2  -0.217293D+01  0.859462D+01 -0.602155D+00 -0.246364D+01  0.475811D+00
      3   0.273139D+00 -0.602155D+00  0.241913D+01  0.573082D+00  0.108089D+01
                51            52            53            54            55 
      1   0.573082D+00 -0.438296D+00  0.849441D+00  0.908890D+00 -0.117477D+02
      2   0.108089D+01  0.849441D+00  0.926361D+00  0.392474D+01  0.506106D+01
      3   0.989476D+00  0.908890D+00  0.392474D+01 -0.202790D+01 -0.402114D+00
                56            57            58            59            60 
      1   0.506106D+01 -0.402114D+00  0.221384D+01  0.153079D-01 -0.636701D+00
      2  -0.114691D+02  0.114006D+01  0.153079D-01  0.105127D+01 -0.117734D+01
      3   0.114006D+01 -0.253900D+01 -0.636701D+00 -0.117734D+01 -0.105379D+01
                61            62            63            64            65 
      1   0.132812D-01 -0.944197D+00 -0.143134D+01 -0.239642D+01 -0.238444D+01
      2  -0.944197D+00 -0.749809D+00 -0.359709D+01 -0.238444D+01 -0.144366D+01
      3  -0.143134D+01 -0.359709D+01  0.215874D+01  0.577806D+00  0.334287D+00
                66            67            68            69            70 
      1   0.577806D+00 -0.321286D+01 -0.307970D+01  0.787627D+00  0.949602D+00
      2   0.334287D+00 -0.307970D+01 -0.504014D+01  0.102741D+01  0.744469D+00
      3  -0.417586D+00  0.787627D+00  0.102741D+01 -0.873778D+00 -0.207717D+00
                71            72            73            74            75 
      1   0.744469D+00 -0.207717D+00 -0.456029D+01  0.330642D+01 -0.245674D+00
      2   0.939382D+00 -0.372890D+00  0.330642D+01 -0.344785D+01  0.358470D+00
      3  -0.372890D+00  0.250318D+00 -0.245674D+00  0.358470D+00 -0.270194D+00
                76            77            78            79            80 
      1   0.358423D+01 -0.470917D+01  0.687157D+00 -0.304947D+00  0.759418D+00
      2  -0.470917D+01  0.795365D+01 -0.923577D+00  0.759418D+00 -0.115185D+01
      3   0.687157D+00 -0.923577D+00  0.747289D+00  0.414284D+00  0.272991D+00
                81            82            83            84            85 
      1   0.414284D+00  0.159330D+01  0.224708D+01 -0.487811D+00  0.116241D+01
      2   0.272991D+00  0.224708D+01  0.331005D+01 -0.687845D+00  0.258101D+01
      3  -0.220664D+00 -0.487811D+00 -0.687845D+00  0.386974D+00 -0.453133D+00
                86            87            88            89            90 
      1   0.258101D+01 -0.453133D+00 -0.231912D+00 -0.538636D+00  0.262607D+00
      2   0.914519D+01 -0.166147D+01 -0.538636D+00 -0.192353D+01  0.399148D+00
      3  -0.166147D+01  0.103837D+01  0.262607D+00  0.399148D+00 -0.252096D+00
                91            92            93            94            95 
      1   0.197641D+02 -0.194803D+01  0.161343D+00  0.614954D+01  0.891827D+00
      2  -0.194803D+01  0.159684D+01  0.791137D+00  0.891827D+00 -0.337802D+01
      3   0.161343D+00  0.791137D+00  0.335539D+01  0.425850D+00  0.201800D+01
                96            97            98            99           100 
      1   0.425850D+00 -0.283136D+01  0.148208D+01  0.884289D+01  0.978106D+01
      2   0.201800D+01  0.148208D+01  0.166496D+01 -0.347935D-01 -0.757518D+00
      3   0.141534D+01  0.884289D+01 -0.347935D-01 -0.191353D+01 -0.213682D+01
               101           102           103           104           105 
      1  -0.757518D+00 -0.213682D+01 -0.295202D+01 -0.166400D+01 -0.112094D+00
      2  -0.168714D+01 -0.531838D+00 -0.166400D+01  0.143652D+01 -0.365124D+01
      3  -0.531838D+00 -0.255901D+01 -0.112094D+00 -0.365124D+01 -0.165089D+01
               106           107           108           109           110 
      1   0.706946D+01 -0.108560D+01 -0.591473D+01  0.660171D+01  0.380940D+01
      2  -0.108560D+01 -0.228916D+01 -0.675539D+00  0.380940D+01  0.111447D+01
      3  -0.591473D+01 -0.675539D+00  0.305935D+01 -0.109423D+01 -0.398767D+00
               111           112           113           114           115 
      1  -0.109423D+01  0.296750D+00  0.135314D+01 -0.860656D+00 -0.102806D+02
      2  -0.398767D+00  0.135314D+01  0.318235D+00 -0.918320D+00 -0.158996D+01
      3  -0.156361D+01 -0.860656D+00 -0.918320D+00 -0.755108D+00 -0.472680D+01
               116           117           118           119           120 
      1  -0.158996D+01 -0.472680D+01 -0.474000D+00  0.209537D+01 -0.642346D+00
      2  -0.187613D+01 -0.146202D+00  0.209537D+01 -0.186357D+01  0.323527D-01
      3  -0.146202D+00  0.187561D+00 -0.642346D+00  0.323527D-01 -0.118089D+01
               121           122           123           124           125 
      1   0.435743D+01 -0.233633D+01  0.187900D+00 -0.121893D+01  0.151526D+00
      2  -0.233633D+01  0.598773D+01 -0.975392D+00  0.151526D+00 -0.128624D+01
      3   0.187900D+00 -0.975392D+00  0.135719D+01 -0.149030D+01  0.106247D+01
               126           127           128           129           130 
      1  -0.149030D+01  0.941997D-01 -0.616693D+00  0.153209D+00 -0.201074D+01
      2   0.106247D+01 -0.616693D+00  0.758786D+00 -0.276783D+00  0.599977D-01
      3  -0.377832D+00  0.153209D+00 -0.276783D+00  0.126540D+01  0.596047D+00
               131           132           133           134           135 
      1   0.599977D-01  0.596047D+00  0.264866D+00  0.853210D-01  0.213988D+00
      2  -0.404138D+01  0.226323D+01  0.853210D-01  0.158740D+01 -0.119228D+01
      3   0.226323D+01 -0.265581D+01  0.213988D+00 -0.119228D+01  0.181882D+01
               136           137           138           139           140 
      1  -0.169268D+02  0.898618D+00  0.413972D+01  0.522982D+00 -0.124256D+01
      2   0.898618D+00 -0.846691D+00 -0.329315D+00 -0.124256D+01  0.762008D-01
      3   0.413972D+01 -0.329315D+00 -0.255015D+01 -0.279995D+00  0.705941D+00
               141           142           143           144           145 
      1  -0.279995D+00  0.123568D+01  0.107974D+00 -0.126473D+01 -0.248159D+00
      2   0.705941D+00  0.107974D+00  0.722292D-01  0.985200D-01  0.813944D+00
      3   0.183302D+00 -0.126473D+01  0.985200D-01  0.393778D+00  0.757091D+00
               146           147           148           149           150 
      1   0.813944D+00  0.757091D+00  0.136988D+01  0.125285D+00 -0.252244D+00
      2   0.100285D+01  0.851094D+00  0.125285D+00  0.304166D+01  0.289046D+01
      3   0.851094D+00  0.203800D+01 -0.252244D+00  0.289046D+01  0.368013D+01
               151           152           153           154           155 
      1   0.352989D-01  0.798036D-01  0.255180D+00 -0.182461D+02 -0.475179D+01
      2   0.798036D-01  0.211192D+01  0.236905D+01 -0.475179D+01 -0.251655D+01
      3   0.255180D+00  0.236905D+01  0.450327D+01  0.327312D+00 -0.342390D+00
               156           157           158           159           160 
      1   0.327312D+00 -0.806118D+01 -0.552367D+01  0.278904D+00  0.863342D+00
      2  -0.342390D+00 -0.552367D+01 -0.392487D+01  0.307823D+00  0.502531D+00
      3  -0.232727D+01  0.278904D+00  0.307823D+00 -0.103173D+01 -0.214137D+01
               161           162           163           164           165 
      1   0.502531D+00 -0.214137D+01 -0.140347D+02 -0.293849D+01 -0.355455D+01
      2   0.106839D+01 -0.100809D+01 -0.293849D+01 -0.311099D+00  0.786553D-01
      3  -0.100809D+01  0.130209D+01 -0.355455D+01  0.786553D-01 -0.122362D+01
               166           167           168           169           170 
      1  -0.708436D+01 -0.832886D+00 -0.112338D+01  0.168596D+01  0.364206D+00
      2  -0.832886D+00 -0.857255D+00 -0.166456D+01  0.364206D+00 -0.199367D+00
      3  -0.112338D+01 -0.166456D+01 -0.203271D+01 -0.652705D+00 -0.111245D+01
               171           172           173           174           175 
      1  -0.652705D+00  0.113176D+02  0.240899D+01  0.153824D+01  0.793679D+01
      2  -0.111245D+01  0.240899D+01  0.600459D+00  0.403055D+00  0.870522D+00
      3  -0.719817D+01  0.153824D+01  0.403055D+00  0.296349D+01  0.142128D+01
               176           177           178           179           180 
      1   0.870522D+00  0.142128D+01  0.490853D+01  0.515519D+00  0.203763D+01
      2   0.380533D+00 -0.577479D+00  0.515519D+00 -0.105838D+01  0.564235D+00
      3  -0.577479D+00  0.153715D+01  0.203763D+01  0.564235D+00 -0.135657D+01
               181           182           183           184           185 
      1   0.111599D+02 -0.187190D+01  0.623914D-01 -0.941380D+01  0.198802D+01
      2  -0.187190D+01  0.119192D+02 -0.200919D+01  0.198802D+01  0.250490D+01
      3   0.623914D-01 -0.200919D+01  0.282001D+01  0.945520D+00 -0.168420D+01
               186           187           188           189           190 
      1   0.945520D+00  0.152889D+01  0.361347D+00  0.463601D+01  0.323458D+02
      2  -0.168420D+01  0.361347D+00 -0.279246D+01 -0.350654D+01 -0.547077D+01
      3  -0.156713D+01  0.463601D+01 -0.350654D+01  0.847012D+00 -0.239781D+00
               191           192           193           194           195 
      1  -0.547077D+01 -0.239781D+00 -0.214990D+02  0.229470D+01  0.212396D+01
      2   0.633912D+01 -0.189679D+00  0.229470D+01 -0.141947D+02  0.204514D+01
      3  -0.189679D+00  0.412690D+01  0.212396D+01  0.204514D+01 -0.168725D+01
               196           197           198           199           200 
      1   0.262991D+01  0.108780D+01  0.658205D+01 -0.383761D+02  0.918837D+01
      2   0.108780D+01  0.156016D+01 -0.203673D+01  0.918837D+01 -0.842952D+01
      3   0.658205D+01 -0.203673D+01 -0.212197D+00  0.678564D+00  0.133129D+01
               201           202           203           204           205 
      1   0.678564D+00  0.258680D+02 -0.317858D+01 -0.714688D+00 -0.190340D+01
      2   0.133129D+01 -0.317858D+01  0.737909D+01  0.267312D-03  0.357014D+00
      3  -0.122360D+00 -0.714688D+00  0.267312D-03  0.283407D+01  0.750108D+00
               206           207           208           209           210 
      1   0.357014D+00  0.750108D+00 -0.501692D+01 -0.124534D+00  0.327448D+00
      2   0.550197D+00  0.337276D+01 -0.124534D+00 -0.304942D+01  0.414147D+00
      3   0.337276D+01 -0.200995D+01  0.327448D+00  0.414147D+00 -0.836780D+00
               211           212           213           214           215 
      1   0.133931D+01  0.209152D+01 -0.313077D+00  0.154139D+00 -0.379655D+00
      2   0.209152D+01 -0.181431D+01  0.368198D+00 -0.379655D+00  0.380879D+00
      3  -0.313077D+00  0.368198D+00  0.136771D+01  0.216663D+00 -0.531664D+00
               216           217           218           219           220 
      1   0.216663D+00 -0.355536D+00  0.246011D+01 -0.451669D+00  0.210162D+01
      2  -0.531664D+00  0.246011D+01  0.260575D+01 -0.700129D+00 -0.184639D+01
      3  -0.598154D-01 -0.451669D+00 -0.700129D+00  0.158054D+01 -0.667407D+00
               221           222           223           224           225 
      1  -0.184639D+01 -0.667407D+00 -0.660574D+00 -0.529480D+00 -0.192044D+01
      2   0.488498D+00 -0.193255D+01 -0.529480D+00 -0.184165D+01 -0.371159D+01
      3  -0.193255D+01 -0.582011D+01 -0.192044D+01 -0.371159D+01  0.277523D+01
               226           227           228           229           230 
      1  -0.114796D+01 -0.182837D+01  0.420651D+00 -0.549381D+00 -0.203463D+01
      2  -0.182837D+01 -0.335585D+01  0.686196D+00 -0.203463D+01 -0.880971D+01
      3   0.420651D+00  0.686196D+00 -0.403738D+00  0.406205D+00  0.159855D+01
               231           232           233           234           235 
      1   0.406205D+00  0.227944D+00  0.519964D+00  0.116875D+00  0.495450D+01
      2   0.159855D+01  0.519964D+00  0.175705D+01 -0.532549D+00 -0.403348D+01
      3  -0.105851D+01  0.116875D+00 -0.532549D+00  0.283691D+00  0.403236D+00
               236           237           238           239           240 
      1  -0.403348D+01  0.403236D+00 -0.461034D+01  0.550657D+01 -0.828202D+00
      2   0.416372D+01 -0.418823D+00  0.550657D+01 -0.830459D+01  0.993240D+00
      3  -0.418823D+00  0.487400D+00 -0.828202D+00  0.993240D+00 -0.862149D+00
               241           242           243           244           245 
      1   0.453683D+00 -0.792178D+00 -0.289976D+00  0.304249D+01  0.250352D+01
      2  -0.792178D+00  0.116499D+01 -0.279824D+00  0.250352D+01  0.142537D+01
      3  -0.289976D+00 -0.279824D+00  0.228203D+00 -0.641474D+00 -0.387865D+00
               246           247           248           249           250 
      1  -0.641474D+00  0.392937D+01  0.315150D+01 -0.796831D+00 -0.922862D+00
      2  -0.387865D+00  0.315150D+01  0.513884D+01 -0.107246D+01 -0.756022D+00
      3   0.267413D+00 -0.796831D+00 -0.107246D+01  0.690401D+00  0.156316D+00
               251           252           253           254           255 
      1  -0.756022D+00  0.156316D+00 -0.117230D+01 -0.435468D+00 -0.393553D+00
      2  -0.107123D+01  0.117292D+00 -0.435468D+00 -0.165252D+00  0.116766D+00
      3   0.117292D+00 -0.806471D-01 -0.393553D+00  0.116766D+00 -0.116311D+01
               256           257           258           259           260 
      1   0.777417D+00  0.145609D+01 -0.105295D+01 -0.396161D+01 -0.141256D+01
      2   0.145609D+01  0.133036D+01 -0.152546D+01 -0.141256D+01 -0.134310D+01
      3  -0.105295D+01 -0.152546D+01  0.257557D+01  0.326248D+01  0.231028D+01
               261           262           263           264           265 
      1   0.326248D+01  0.161619D+02 -0.111149D+01 -0.720385D+00 -0.383111D+01
      2   0.231028D+01 -0.111149D+01  0.908972D+00  0.119096D+00  0.147351D+01
      3  -0.676596D+01 -0.720385D+00  0.119096D+00  0.108147D+01  0.268120D+00
               266           267           268           269           270 
      1   0.147351D+01  0.268120D+00 -0.216754D+00  0.110002D+00  0.155825D+01
      2  -0.771789D+00  0.540919D-01  0.110002D+00  0.149763D+00  0.153217D+00
      3   0.540919D-01 -0.173794D+00  0.155825D+01  0.153217D+00 -0.327379D+00
               271           272           273           274           275 
      1  -0.418394D+00  0.323956D-01  0.835512D+00  0.267300D+01  0.288068D+01
      2   0.323956D-01  0.430034D-01 -0.142674D-01  0.288068D+01  0.347273D+01
      3   0.835512D+00 -0.142674D-01 -0.608852D+00  0.145999D+01  0.234128D+01
               276           277           278           279 
      1   0.145999D+01  0.424911D+01  0.205997D+01  0.220096D+01
      2   0.234128D+01  0.205997D+01  0.238305D+01  0.250631D+01
      3   0.260080D+01  0.220096D+01  0.250631D+01  0.334898D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.318302D+01  0.206639D+01 -0.124146D+01  0.346211D+01 -0.203225D+01
      2   0.789859D+01  0.412773D+01 -0.444362D+00  0.781062D+01 -0.514533D+01
      3   0.510603D+01  0.241777D+02 -0.516511D+01  0.272298D+02 -0.255928D+02
                 6             7             8             9            10 
      1   0.387381D+00 -0.617077D+01  0.825741D+01 -0.129931D+01 -0.100966D+01
      2   0.270002D+01 -0.211267D+02  0.474699D+01 -0.640272D-01 -0.672977D+01
      3   0.295091D+01 -0.818084D+00  0.171493D+01  0.462501D+00  0.271693D+02
                11            12            13            14            15 
      1   0.310351D+01 -0.108545D+01 -0.959637D+00  0.873493D+00  0.113607D+01
      2   0.455115D+01 -0.705412D+01  0.111330D+01 -0.428219D+01  0.267172D+00
      3   0.195555D+02 -0.407137D+01  0.572672D+02 -0.332806D+02  0.282689D+01
                16            17            18            19            20 
      1  -0.720763D+01  0.859947D+01 -0.148725D+01 -0.379799D+01 -0.790112D+00
      2  -0.217985D+02  0.450572D+01  0.989873D+00 -0.936406D+01 -0.337429D+01
      3  -0.827096D+01  0.347402D+01 -0.314111D+00 -0.583605D+00 -0.262194D+02
                21            22            23            24            25 
      1   0.581686D+00 -0.410279D+00  0.208476D+00 -0.170537D+01 -0.859843D+01
      2   0.701085D+00  0.286906D+01  0.177222D+01  0.131339D+01 -0.183900D+02
      3   0.535466D+01 -0.549311D+01  0.524564D+01 -0.206074D+01  0.636561D+01
                26            27            28            29            30 
      1   0.450698D+01 -0.115400D+01  0.612082D+00  0.164065D+01  0.630016D+00
      2   0.830124D+01 -0.911050D+00  0.769037D+01  0.208063D+01  0.975842D+00
      3  -0.212143D+01 -0.803428D+00 -0.264928D+02  0.130828D+02 -0.170373D+01
                31            32            33            34            35 
      1   0.594370D+01  0.387933D+01  0.171783D+01  0.394795D+01  0.136363D+02
      2  -0.201407D+00  0.590691D+00  0.448448D+00 -0.154258D+02  0.775991D+00
      3   0.313475D+02 -0.153141D+01 -0.147303D+01 -0.109838D+01 -0.290562D+01
                36            37            38            39            40 
      1  -0.237479D+01  0.124097D+00 -0.200538D+00  0.676108D+01  0.118745D+01
      2   0.933476D+00 -0.384491D+01 -0.129225D+01  0.641722D+00 -0.332881D+01
      3  -0.232319D+01 -0.857071D+01 -0.380661D+01  0.906622D-01  0.139256D+02
                41            42            43            44            45 
      1  -0.113908D+01 -0.339744D+01  0.170547D+02  0.114927D+01 -0.439972D+00
      2  -0.362539D+01 -0.207685D+01 -0.971083D+01 -0.681368D+01  0.250857D+01
      3  -0.733852D+01  0.379588D+00 -0.456325D+01  0.192069D+01 -0.545854D+01
                46            47            48            49            50 
      1  -0.968856D+00 -0.197355D+01 -0.671317D+01 -0.253721D+01  0.654388D+00
      2   0.419069D+01 -0.318855D+01  0.232000D+01 -0.602099D+01  0.558545D+01
      3   0.232838D+02 -0.220994D+02  0.339820D+01 -0.100109D+02  0.251158D+02
                51            52            53            54            55 
      1  -0.280163D+01 -0.107689D+02 -0.241772D+01  0.344385D+01  0.171729D+01
      2  -0.964887D+00 -0.153553D+02  0.112129D+01  0.155109D+01  0.534817D+01
      3  -0.291201D+01  0.418225D+01 -0.246998D+01  0.542423D+01  0.325184D+02
                56            57            58            59            60 
      1  -0.412104D+01 -0.667521D+01 -0.234742D+01  0.133694D+01 -0.237468D+01
      2  -0.397390D+01 -0.501858D+01 -0.550686D+01  0.413614D+01 -0.203059D+01
      3  -0.105511D+02  0.240555D+01 -0.679784D+01  0.263617D+02 -0.175518D+01
                61            62            63            64            65 
      1  -0.110287D+02 -0.176871D+01  0.249120D+01 -0.249753D+00 -0.516370D+00
      2  -0.215090D+02 -0.219384D+01  0.551274D+01  0.109227D+01  0.795942D+00
      3   0.478078D+01 -0.128502D+01  0.128158D+02  0.180964D+01 -0.128327D+00
                66            67            68            69            70 
      1  -0.163521D+01 -0.764293D+00 -0.151347D+01 -0.279026D+01 -0.719945D+00
      2   0.566371D+00  0.104340D+01  0.675888D-02  0.186791D+01 -0.271123D+01
      3   0.317960D-01  0.324192D+01 -0.528632D+01  0.841477D+00 -0.703152D-01
                71            72            73            74            75 
      1   0.220584D+01  0.328345D+00 -0.302152D+00  0.209795D+00  0.202671D+01
      2  -0.758413D+00 -0.540942D-03 -0.772101D+00 -0.166813D+00  0.137415D+01
      3   0.772724D+00  0.546258D+00 -0.840151D+01  0.149702D+01  0.143585D-01
                76            77            78            79            80 
      1  -0.113432D+01  0.873926D+00 -0.393140D+01 -0.303937D+01  0.179830D+01
      2  -0.501025D+00  0.745548D+00 -0.240128D+01 -0.181524D+01  0.470898D-01
      3   0.393035D+01  0.149469D+01  0.385622D+00  0.434666D+00 -0.446109D+00
                81            82            83            84            85 
      1   0.512461D+00  0.818816D+00  0.586418D+00 -0.194515D+01  0.653710D+00
      2   0.517890D+00  0.965259D+00  0.481854D+00  0.101788D+01  0.660370D+00
      3   0.113826D+01  0.713274D+01  0.325401D+01 -0.121893D+01  0.545070D+01
                86            87            88            89            90 
      1   0.144657D+01 -0.457213D+01  0.859900D+00  0.219364D+01  0.381753D+00
      2   0.758966D+00  0.138952D+01 -0.118928D+01  0.782584D+00 -0.694821D+00
      3   0.405469D+01 -0.124988D+01 -0.105710D+01 -0.152755D+01 -0.580994D+00
                91            92            93            94            95 
      1   0.322106D+01  0.100531D+01 -0.194653D+01  0.578003D+01 -0.854548D+00
      2  -0.808168D+01 -0.228964D+01 -0.782238D+01 -0.299074D+01 -0.930692D+01
      3   0.154949D+02 -0.136499D+01  0.286423D+01  0.236481D+02 -0.192631D+02
                96            97            98            99           100 
      1  -0.243352D+01 -0.295428D+01  0.532753D+01  0.151821D+01  0.166589D+01
      2  -0.312613D+01 -0.373847D+02 -0.188768D+00  0.427551D+01 -0.127671D+02
      3   0.869678D+01  0.120666D+01  0.113584D+02  0.897640D+01  0.140073D+01
               101           102           103           104           105 
      1  -0.647325D+01  0.498626D+00 -0.271568D+01  0.439357D+01 -0.117622D+02
      2   0.216933D+01  0.185460D+02 -0.501021D+00  0.194558D+02  0.687398D+01
      3  -0.144103D+02 -0.135616D+01 -0.962895D+01  0.884876D+01 -0.161944D+02
               106           107           108           109           110 
      1   0.349079D+01 -0.608039D+01 -0.564616D+01 -0.534781D+01  0.120882D+01
      2   0.187535D+02  0.274459D+01 -0.517432D+01  0.143449D+02  0.499932D+01
      3   0.620304D+01 -0.150572D+02 -0.797184D+01 -0.583746D+01  0.101568D+02
               111           112           113           114           115 
      1   0.102876D+02 -0.119273D+02 -0.692309D+01 -0.861301D+01  0.977983D+01
      2   0.395439D+01  0.669480D+01  0.423293D+01 -0.936485D+01  0.960904D+01
      3  -0.723730D+01  0.839105D+01  0.172751D+02 -0.208566D+01 -0.190961D+02
               116           117           118           119           120 
      1  -0.523827D-01  0.634349D+01  0.121809D+01 -0.111089D+01  0.104005D+01
      2  -0.179640D+01  0.205760D+01  0.282154D+01 -0.104757D+01  0.515528D+01
      3  -0.713203D+01 -0.554425D+01  0.943502D+01 -0.658898D+01 -0.169206D+00
               121           122           123           124           125 
      1  -0.129643D+01  0.252641D+01 -0.305587D+01  0.100742D+01 -0.388344D+00
      2  -0.174810D+01  0.475463D+01 -0.507163D+01  0.292955D+01 -0.348993D+01
      3  -0.113176D+01  0.211853D+02 -0.385951D+01 -0.100187D+01 -0.521431D+01
               126           127           128           129           130 
      1   0.508753D+00 -0.263907D+01  0.278038D+01 -0.464503D+00  0.103477D+01
      2   0.164243D+01 -0.297631D+01  0.297915D+01 -0.458891D+01  0.277294D+01
      3   0.228369D+01 -0.502947D+01  0.400940D+01 -0.122521D+01  0.349665D+01
               131           132           133           134           135 
      1  -0.110430D+02  0.355911D+01  0.129112D-01  0.518875D+01 -0.265208D+01
      2  -0.103179D+02  0.919104D+01 -0.187997D+01  0.441303D+01 -0.724457D+01
      3  -0.172196D+02  0.941418D+01  0.488218D+00  0.600171D+01 -0.491676D+01
               136           137           138           139           140 
      1  -0.163229D+01 -0.265338D+01  0.853914D+00 -0.242416D+01 -0.786229D+00
      2   0.113900D+02  0.422544D-01  0.777215D+01  0.215819D+00 -0.797808D+00
      3  -0.551924D+01 -0.607914D+01  0.769052D+00 -0.374867D+01 -0.726505D+00
               141           142           143           144           145 
      1   0.352555D+00 -0.162788D+00  0.139392D+01  0.209893D-01  0.187852D+01
      2  -0.100641D+00  0.165468D+01  0.460747D+00  0.772100D+00 -0.491302D+01
      3   0.244157D+01 -0.896226D+00  0.289489D+01 -0.577004D+00  0.348760D+01
               146           147           148           149           150 
      1   0.313704D+01  0.213226D+00  0.179878D+01  0.595407D+01  0.244665D+01
      2  -0.481265D+01 -0.857283D+01 -0.299034D+01 -0.121338D+02 -0.136542D+02
      3   0.451835D+01  0.327298D+01  0.355504D+01  0.110897D+02  0.103619D+02
               151           152           153           154           155 
      1  -0.187858D+00  0.521160D+01  0.248416D+01  0.456969D+01  0.813373D+00
      2  -0.429069D+01 -0.963481D+01 -0.172167D+02 -0.109907D+02 -0.121194D+01
      3  -0.707965D-01  0.782899D+01  0.893127D+01 -0.910090D+01 -0.217436D+02
               156           157           158           159           160 
      1  -0.604087D+01  0.809879D+01  0.448453D+01 -0.325110D+01 -0.326986D+01
      2   0.198780D+02 -0.590505D+00 -0.451232D+01  0.113032D+02  0.493609D+01
      3  -0.396098D+00 -0.186884D+02 -0.236813D+02  0.282627D+00  0.405747D+01
               161           162           163           164           165 
      1   0.145161D+01  0.129230D+01  0.665952D+01  0.296864D+01 -0.322948D+01
      2   0.328132D+01 -0.825806D+01 -0.147022D+02 -0.552208D+01  0.312969D+01
      3   0.453190D+01 -0.263761D+01 -0.952081D+01 -0.382216D+01  0.699947D+00
               166           167           168           169           170 
      1   0.892240D+01  0.463491D+01  0.239735D+01 -0.174936D+01  0.741697D+01
      2  -0.995105D+01  0.488655D+01  0.853909D+01 -0.220543D+01  0.369523D+01
      3  -0.108406D+01 -0.457802D+01 -0.933763D+01  0.670773D+01 -0.210295D+01
               171           172           173           174           175 
      1  -0.289701D+01 -0.799775D+01 -0.356699D+01  0.451712D+00 -0.993500D+01
      2   0.240408D+02  0.235735D+02  0.407711D+01 -0.793047D+01  0.936828D+01
      3  -0.325110D+01  0.273837D+01  0.242284D+01  0.233602D+01  0.913270D+01
               176           177           178           179           180 
      1  -0.302353D+01 -0.192446D+01  0.115577D+00 -0.230224D+00 -0.706614D+00
      2   0.394063D+01 -0.435248D+01 -0.317076D+01 -0.111738D+01  0.587754D+01
      3   0.863846D+00  0.523104D+00  0.202291D+01  0.867343D+00  0.789942D+00
               181           182           183           184           185 
      1  -0.658371D+00  0.254755D+01  0.696710D+01  0.272659D+01 -0.136416D+01
      2  -0.698872D+01 -0.199531D+01  0.793901D+01 -0.107184D+01 -0.850080D+01
      3  -0.311759D+02 -0.151678D+02  0.296880D+01 -0.113657D+02 -0.284271D+02
               186           187           188           189           190 
      1  -0.288716D+01  0.160489D+02  0.324421D+01 -0.266925D+01 -0.101828D+01
      2  -0.279871D+01 -0.174676D+01 -0.116646D+02  0.145330D+01 -0.379882D+01
      3   0.676251D+01  0.346580D+01  0.841541D+01 -0.229438D+01  0.103644D+02
               191           192           193           194           195 
      1   0.348843D+01 -0.474839D+00  0.348217D+01  0.259190D+01  0.403357D+01
      2   0.475996D+01  0.154432D+01  0.141067D+02  0.173028D+01 -0.370969D+01
      3   0.210334D+02 -0.471098D+01  0.542912D+02  0.194942D+02 -0.616960D+01
               196           197           198           199           200 
      1  -0.423205D+01  0.152847D+02 -0.353294D+01  0.273847D+00 -0.212627D+01
      2  -0.646556D+00 -0.524425D+01  0.956758D+00  0.295674D+01 -0.221629D+01
      3  -0.106194D+02 -0.445659D+01  0.566083D+01 -0.199505D+02 -0.128385D+02
               201           202           203           204           205 
      1   0.335177D+00 -0.208993D+01  0.114750D+01 -0.397662D+01 -0.372966D+01
      2   0.440809D+01 -0.849155D+01  0.456629D+01  0.610750D+01 -0.167619D+02
      3   0.245287D+01 -0.490904D+01 -0.553880D+00 -0.174724D+01  0.569822D+01
               206           207           208           209           210 
      1   0.387144D+01  0.534327D+00  0.110433D+01 -0.324589D+01  0.794857D+00
      2   0.147870D+02 -0.487478D+01  0.312748D+01 -0.553240D+01  0.117404D+02
      3  -0.335714D+01 -0.615342D+01  0.106331D+02 -0.411297D+02  0.504144D+01
               211           212           213           214           215 
      1   0.243556D+00 -0.109112D+01 -0.636861D+01  0.271979D+01 -0.156384D+01
      2  -0.141566D+01  0.266463D+01  0.838302D+01 -0.689427D+01 -0.332666D+01
      3  -0.284599D+01  0.111853D+02 -0.281393D+01  0.972034D+00  0.176024D+01
               216           217           218           219           220 
      1   0.130172D+01 -0.145136D+01  0.464118D+00 -0.145139D+01  0.324590D+01
      2  -0.103255D+01 -0.712709D+01 -0.142855D+01  0.819318D+01 -0.315113D+01
      3   0.140942D+01 -0.378793D+02 -0.253798D+01  0.404271D+01  0.109796D+02
               221           222           223           224           225 
      1   0.399837D+01  0.627858D+01  0.131004D+02  0.718634D+01 -0.184867D+01
      2  -0.757015D+01 -0.358809D+02 -0.978677D+01 -0.225883D+02  0.173733D+02
      3   0.205645D+02  0.785828D+01  0.404874D+01  0.631125D+01  0.289963D+02
               226           227           228           229           230 
      1   0.217480D+00 -0.293065D+00 -0.190304D+01 -0.129505D-01 -0.769927D+00
      2   0.193785D+01  0.189746D+01  0.100325D+00  0.140964D+01  0.378626D+01
      3   0.918272D+01  0.804134D+01 -0.211740D+01  0.682161D+01  0.186001D+02
               231           232           233           234           235 
      1  -0.412692D+01  0.113766D+01  0.221521D+01  0.350720D+00 -0.827725D+00
      2  -0.512471D+00 -0.238152D+00 -0.109683D+01 -0.630622D-01 -0.921854D+00
      3  -0.379634D+01 -0.204964D+01 -0.402495D+01  0.232431D+00 -0.847570D-01
               236           237           238           239           240 
      1   0.858223D+00  0.212310D+01 -0.226907D+00 -0.833207D+00 -0.369084D+01
      2   0.246343D-01  0.248128D+01 -0.111263D+01  0.129858D+01 -0.369467D+01
      3  -0.595251D+01  0.590312D+00 -0.612219D+01  0.166711D+02 -0.147462D+01
               241           242           243           244           245 
      1  -0.309793D+01  0.154196D+01  0.545187D+00  0.274132D+00 -0.502742D-01
      2  -0.271063D+01 -0.880366D+00  0.114440D+01 -0.667420D+00 -0.836724D+00
      3   0.198483D+01 -0.235766D+01  0.162407D+01 -0.391763D+00 -0.265367D+01
               246           247           248           249           250 
      1  -0.107926D+01  0.196978D+00 -0.287375D+00 -0.276665D+01 -0.426546D+00
      2   0.980718D+00 -0.106044D+01 -0.284820D+01  0.264671D+01 -0.153989D+01
      3   0.443181D+00 -0.102133D+01 -0.132506D+02  0.240077D+01  0.584033D+00
               251           252           253           254           255 
      1   0.144810D+01  0.372843D+00 -0.505625D+00  0.625359D+00  0.161165D+01
      2  -0.894782D+00  0.353469D-01 -0.532561D+01  0.996186D+00 -0.605229D+01
      3   0.284830D+01  0.240291D+00  0.122055D+01  0.302620D+01 -0.273445D+01
               256           257           258           259           260 
      1  -0.128299D+00 -0.214615D+00 -0.226366D+01 -0.296901D+01  0.148652D+01
      2  -0.455369D+01 -0.835924D+01  0.148395D+02  0.110609D+02  0.135480D+02
      3  -0.539350D+01 -0.127445D+02  0.104724D+02  0.560004D+01  0.113210D+02
               261           262           263           264           265 
      1   0.561408D+01  0.710131D+00 -0.571573D+00 -0.316401D+00 -0.581216D+00
      2  -0.371255D+02  0.112006D+01  0.830259D-01  0.882604D+01  0.428149D+00
      3  -0.185856D+02  0.155904D+02 -0.100138D+02 -0.936447D+00 -0.840695D+01
               266           267           268           269           270 
      1   0.116999D+00 -0.749871D+00 -0.128442D+01  0.735042D-01  0.172077D+00
      2   0.779945D+00 -0.117401D+01  0.726124D+01  0.894973D+00 -0.163265D+01
      3   0.544811D+01 -0.440219D+00 -0.926320D+00 -0.749164D+00 -0.105679D+01
               271           272           273           274           275 
      1   0.158708D+00  0.189197D+00  0.102542D+01 -0.207536D+01 -0.300516D+01
      2   0.630343D+01  0.582597D+00 -0.264749D+01  0.669473D+01  0.117078D+02
      3  -0.173905D+01  0.171668D+01  0.510513D+00 -0.118668D+02 -0.263138D+02
               276           277           278           279 
      1  -0.498029D+01 -0.396824D+01 -0.157216D+01 -0.575332D+01
      2   0.150436D+02  0.788969D+01  0.138726D+02  0.178634D+02
      3  -0.144422D+02 -0.826456D+01 -0.168141D+02 -0.170627D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.760066D+02  0.340848D+02 -0.284330D+01 -0.710548D+02  0.610682D+01
      2   0.365379D+02 -0.213496D+02  0.249287D+01  0.369525D+02  0.395612D+01
      3   0.394688D+02 -0.127352D+02  0.350439D+00  0.341023D+02 -0.100629D+02
      4   0.171542D+02  0.964368D+01 -0.220842D+01  0.123478D+02 -0.196986D+02
      5  -0.622505D+01 -0.274506D+01  0.586853D+00 -0.559937D+01  0.651294D+01
      6   0.426874D+01  0.518488D+00  0.278090D+01  0.386081D+01 -0.497775D+01
                 6             7             8             9            10 
      1   0.189974D+01  0.178915D+02 -0.485635D+01 -0.947615D+01  0.114856D+03
      2  -0.374207D+01 -0.757247D+01  0.194642D+01 -0.109750D+01 -0.527981D+02
      3   0.184233D+01 -0.103190D+02  0.290993D+01  0.105736D+02 -0.620582D+02
      4   0.363876D+01 -0.321949D+01  0.299867D+01 -0.491372D+00  0.447138D+01
      5   0.373117D+01  0.994015D+00 -0.892563D+00 -0.619956D-01  0.687737D+00
      6  -0.151414D+00  0.211012D+01  0.412740D+01  0.101879D+01 -0.805857D+01
                11            12            13            14            15 
      1  -0.786675D+01 -0.731230D+01  0.541872D+02 -0.272276D+02  0.805800D+00
      2   0.297050D+01  0.292956D+01 -0.180664D+02  0.193980D+02 -0.373280D+01
      3   0.489625D+01  0.438275D+01 -0.361207D+02  0.782964D+01  0.292700D+01
      4   0.117902D+02 -0.487642D+01 -0.263876D+02  0.171834D+02 -0.103836D+01
      5  -0.692470D+01 -0.122618D+02  0.873792D+01 -0.271224D+01 -0.755416D+00
      6   0.307869D+01  0.122906D+01 -0.404219D+01 -0.436538D+00 -0.233354D+01
                16            17            18            19            20 
      1  -0.176191D+02  0.490721D+01 -0.532146D+01  0.443170D+02 -0.428059D+02
      2   0.773805D+01 -0.311130D+01 -0.230136D+01 -0.198462D+02  0.298961D+02
      3   0.988103D+01 -0.179591D+01  0.762281D+01 -0.244708D+02  0.129098D+02
      4   0.592343D+01 -0.218874D+01  0.537241D+01 -0.219349D+02 -0.122174D+02
      5   0.814695D+00  0.476005D+01  0.693670D+00  0.912763D+01  0.352329D+01
      6   0.573330D+01  0.433152D+01  0.166633D+01 -0.412788D+01  0.423485D+00
                21            22            23            24            25 
      1   0.473338D+01  0.497065D+01  0.333628D+02 -0.454444D+01 -0.430288D+01
      2  -0.362738D+01 -0.215074D+02 -0.322214D+02  0.649515D+01  0.749184D+01
      3  -0.110600D+01  0.165368D+02 -0.114142D+01 -0.195071D+01 -0.318896D+01
      4   0.251638D+01  0.158288D+02 -0.259922D+01  0.346856D+01 -0.195290D+01
      5  -0.351986D+01 -0.701098D+01  0.370189D+01  0.845308D+01  0.483169D+01
      6   0.494720D+00  0.107760D+02  0.518481D+01  0.235339D+01  0.306563D+01
                26            27            28            29            30 
      1  -0.209543D+01 -0.712929D+01  0.979384D+01  0.682601D+00  0.378898D+01
      2   0.555238D+01 -0.685840D+01 -0.277226D+02 -0.319766D+01 -0.107140D+01
      3  -0.345695D+01  0.139877D+02  0.179287D+02  0.251506D+01 -0.271758D+01
      4   0.544894D+01  0.428243D+01  0.104488D+01  0.148345D+02  0.917078D+00
      5   0.913424D+01 -0.259774D+01 -0.140299D+02  0.263839D+01  0.110399D+02
      6   0.393236D+01 -0.373256D+00  0.127141D+02 -0.176813D+01 -0.310665D+01
                31            32            33            34            35 
      1   0.206367D+02 -0.627008D+02  0.690993D+01 -0.579282D+01  0.101665D+02
      2  -0.787617D+01  0.581122D+02 -0.114971D+02  0.416701D+00 -0.108436D+02
      3  -0.127606D+02  0.458862D+01  0.458720D+01  0.537612D+01  0.677129D+00
      4  -0.372730D+02 -0.113215D+02  0.424811D+01  0.143032D+02  0.330154D+01
      5   0.112714D+02  0.485179D+01 -0.120426D+01  0.338909D+02 -0.584420D+01
      6  -0.195903D+01 -0.513653D+01 -0.297426D+01 -0.723708D+01  0.625540D+01
                36            37            38            39            40 
      1  -0.753619D-01 -0.707402D+01  0.723160D+02 -0.137299D+02 -0.218616D+02
      2  -0.820888D+01  0.164767D+01 -0.551147D+02  0.689587D+01  0.254846D+02
      3   0.828424D+01  0.542636D+01 -0.172013D+02  0.683398D+01 -0.362302D+01
      4  -0.658943D+00  0.195833D+02 -0.140440D+02 -0.584782D+00  0.169272D+02
      5   0.120000D+00 -0.274364D+01 -0.387760D+01  0.210037D+01  0.410044D+01
      6   0.545684D+01 -0.438902D+01  0.309472D+01 -0.134485D+02 -0.114180D+02
                41            42            43            44            45 
      1   0.229601D+02 -0.776109D+01  0.687295D+01 -0.142238D+02 -0.138630D+02
      2  -0.270841D+02  0.727138D+01 -0.104909D+02  0.156337D+02  0.353840D+01
      3   0.412398D+01  0.489707D+00  0.361792D+01 -0.140998D+01  0.103246D+02
      4   0.165607D+02 -0.771154D+01  0.919519D+00 -0.562476D+01 -0.697196D+01
      5  -0.886185D+01 -0.841073D+01  0.199818D+02 -0.832017D+01  0.373501D+01
      6   0.875334D+01  0.646680D+01 -0.189564D+02  0.177443D+02  0.640958D+00
                46            47            48            49            50 
      1   0.424405D+01 -0.565178D+02  0.808476D+01  0.299640D+02  0.183722D+01
      2  -0.412226D+01  0.439317D+02 -0.238943D+01 -0.263303D+02 -0.861504D+01
      3  -0.121793D+00  0.125862D+02 -0.569533D+01 -0.363368D+01  0.677782D+01
      4  -0.149013D+02 -0.788418D+01  0.419395D+01  0.960408D+01 -0.119256D+02
      5   0.429852D+01  0.618388D+01  0.620958D+00 -0.216266D+01  0.251101D+01
      6   0.449689D+01  0.150300D+01  0.119978D+02  0.331878D+01  0.108210D+02
                51            52            53            54            55 
      1  -0.695899D+01 -0.580616D+01 -0.140385D+01 -0.230832D+02 -0.221097D+02
      2   0.817596D+01  0.664155D+01  0.876841D+01  0.995051D+01  0.893180D+01
      3  -0.121697D+01 -0.835391D+00 -0.736456D+01  0.131327D+02  0.131779D+02
      4   0.369223D+01  0.158162D+01  0.643660D+01  0.570163D+01  0.906427D+01
      5   0.924028D+00  0.487038D+01  0.212942D+01  0.405314D+00 -0.360389D+01
      6   0.553437D+01  0.332683D+01  0.224137D+02 -0.589155D+01  0.333341D+01
                56            57            58            59            60 
      1  -0.382486D+02  0.604837D+01  0.111298D+02  0.136649D+02 -0.840767D+01
      2   0.328936D+02 -0.208408D+00 -0.126717D+02 -0.149792D+02  0.862092D+01
      3   0.535500D+01 -0.583996D+01  0.154191D+01  0.131427D+01 -0.213251D+00
      4  -0.511971D+02  0.768561D+01  0.117704D+02 -0.722718D+01 -0.285957D+00
      5   0.113199D+02 -0.122910D+02 -0.268095D+01 -0.159349D+01 -0.104860D+01
      6  -0.189974D+01  0.134763D+02  0.377423D+01  0.967014D+01  0.420401D+01
                61            62            63            64            65 
      1  -0.209371D+01 -0.515040D+01 -0.278646D+02  0.347967D+01 -0.113256D+01
      2   0.485658D+01  0.114666D+02  0.962409D+01 -0.470308D+00  0.238962D+01
      3  -0.276287D+01 -0.631618D+01  0.182405D+02 -0.300936D+01 -0.125706D+01
      4  -0.305242D+01  0.350235D+01 -0.636989D+01  0.972292D+01  0.102854D+02
      5  -0.208405D+01 -0.109342D+02  0.730608D+01 -0.288815D+01 -0.223551D+01
      6   0.483789D+01  0.193079D+02 -0.716396D+01 -0.185258D+01 -0.146908D+01
                66            67            68            69            70 
      1   0.183927D+00 -0.436137D+01 -0.146737D+02  0.327995D+01 -0.612414D-01
      2   0.205163D+00  0.655856D+01  0.174616D+02 -0.164115D+01  0.167523D+00
      3  -0.389091D+00 -0.219719D+01 -0.278788D+01 -0.163880D+01 -0.106282D+00
      4  -0.172564D+01  0.139821D+02  0.185606D+02 -0.334819D+01 -0.308951D+01
      5   0.294131D+01 -0.351373D+01 -0.352110D+01  0.354459D+01  0.146389D+01
      6   0.137836D+01 -0.319513D+01 -0.601855D+01  0.497283D+01  0.219223D+01
                71            72            73            74            75 
      1   0.195284D+01 -0.293604D+01 -0.108608D+01  0.691779D+01 -0.802398D+00
      2  -0.177136D+01  0.241323D+01  0.106962D+02 -0.162465D+02  0.150402D+01
      3  -0.181488D+00  0.522808D+00 -0.961016D+01  0.932873D+01 -0.701624D+00
      4  -0.346314D+01  0.234185D+01 -0.226213D+02  0.227673D+02 -0.235077D+01
      5   0.873890D+00 -0.134638D+01  0.192339D+01 -0.241750D+01  0.297241D+01
      6   0.311273D+01 -0.207246D+01 -0.110884D+01  0.156134D+01 -0.255229D+01
                76            77            78            79            80 
      1   0.125700D+02 -0.296955D+02  0.358171D+01 -0.248144D+01  0.458005D+01
      2  -0.238205D+02  0.479090D+02 -0.453370D+01  0.444654D+01 -0.663385D+01
      3   0.112505D+02 -0.182135D+02  0.951993D+00 -0.196510D+01  0.205381D+01
      4   0.246376D+02 -0.340360D+02  0.386429D+01 -0.327020D+01  0.422167D+01
      5  -0.339471D+01  0.431906D+01 -0.352300D+01  0.116625D-01 -0.172401D+01
      6   0.381875D+01 -0.546774D+01  0.632252D+01  0.167039D+01  0.254983D+01
                81            82            83            84            85 
      1  -0.126483D+01 -0.634741D+01 -0.107189D+02  0.253155D+01 -0.100801D+02
      2   0.246786D+01  0.103776D+02  0.174625D+02 -0.290574D+01  0.142738D+02
      3  -0.120303D+01 -0.403021D+01 -0.674365D+01  0.374195D+00 -0.419366D+01
      4  -0.224338D+01  0.116334D+02  0.197225D+02 -0.348829D+01  0.123516D+02
      5   0.951805D+00 -0.134955D+01 -0.202111D+01  0.291013D+01 -0.137097D+01
      6  -0.184696D+01 -0.260983D+01 -0.415224D+01  0.319559D+01 -0.296377D+01
                86            87            88            89            90 
      1  -0.417451D+02  0.807416D+01  0.207166D+01  0.860337D+01 -0.190851D+01
      2   0.587264D+02 -0.904044D+01 -0.303494D+01 -0.109923D+02  0.250838D+01
      3  -0.169813D+02  0.966285D+00  0.963286D+00  0.238892D+01 -0.599879D+00
      4   0.276184D+02 -0.462434D+01 -0.329530D+01 -0.515970D+01  0.313565D+01
      5  -0.202519D+01  0.206067D+01  0.887250D+00  0.289370D+01 -0.141938D+01
      6  -0.112652D+02  0.850758D+01  0.959159D+00  0.423379D+01 -0.261271D+01
                91            92            93            94            95 
      1  -0.765818D+01  0.208182D+01 -0.159679D+02 -0.680765D+01 -0.269935D+01
      2   0.148476D+02  0.227967D+01  0.632003D+00  0.135377D+02 -0.109073D+02
      3  -0.718937D+01 -0.436149D+01  0.153359D+02 -0.673002D+01  0.136066D+02
      4  -0.590287D+01 -0.150438D+02 -0.410552D+01 -0.174405D+02  0.370958D+02
      5   0.371346D+00 -0.502814D+01 -0.238631D+02  0.209478D+01 -0.146293D+02
      6  -0.567819D+01  0.205164D+01  0.112962D+01 -0.479962D+01  0.339350D+01
                96            97            98            99           100 
      1  -0.227943D+01 -0.149690D+01 -0.445412D+01 -0.224163D+02 -0.811314D+02
      2   0.110265D+01 -0.145505D+02  0.924916D+01  0.225816D+02  0.458817D+02
      3   0.117678D+01  0.160474D+02 -0.479503D+01 -0.165307D+00  0.352497D+02
      4  -0.166110D+02 -0.897404D+01 -0.166565D+02 -0.445551D+01  0.131831D+02
      5  -0.664357D+01 -0.694357D+02  0.153999D+01  0.183930D+02  0.435249D+02
      6   0.461349D+01  0.249120D+01 -0.117214D+01 -0.151976D+01 -0.450646D+01
               101           102           103           104           105 
      1   0.836503D+01  0.316591D+02  0.514683D+01  0.312139D+02  0.932903D+01
      2  -0.375205D+01 -0.848102D+01 -0.669228D+01 -0.520753D+01  0.436530D+00
      3  -0.461298D+01 -0.231781D+02  0.154544D+01 -0.260064D+02 -0.976556D+01
      4   0.184350D+02  0.111188D+01  0.174894D+02 -0.152461D+02  0.247572D+02
      5   0.675672D+00  0.116885D+02 -0.173557D+00  0.166362D+02  0.833303D+01
      6  -0.116776D+02 -0.320736D+01 -0.623049D+01  0.391378D+01 -0.203130D+02
               106           107           108           109           110 
      1   0.317846D+01  0.859200D+01  0.213904D+02 -0.794861D+02 -0.262343D+02
      2   0.188981D+02 -0.341194D+01 -0.239276D+02  0.297131D+02  0.445327D+01
      3  -0.220765D+02 -0.518005D+01  0.253724D+01  0.497730D+02  0.217810D+02
      4   0.238427D+01  0.200726D+02  0.459743D+01 -0.446211D+02 -0.255776D+02
      5   0.442690D+02  0.135770D+01 -0.317852D+02  0.120414D+01 -0.125384D+01
      6  -0.395000D+01 -0.143420D+02 -0.754118D+01 -0.880986D+00  0.193688D+01
               111           112           113           114           115 
      1   0.173093D+01 -0.340928D+02 -0.148678D+02  0.950187D+01  0.424591D+02
      2  -0.188885D+01  0.668828D+01  0.540699D+01 -0.416257D+00 -0.206880D+02
      3   0.157923D+00  0.274045D+02  0.946082D+01 -0.908562D+01 -0.217711D+02
      4   0.156914D+01 -0.104715D+02 -0.223920D+02  0.911333D+01  0.197683D+02
      5   0.103888D+01 -0.336022D+01  0.673426D+01 -0.325387D+01  0.294163D+02
      6  -0.388958D+01  0.375228D+01 -0.367974D+01  0.588931D+00  0.498769D+01
               116           117           118           119           120 
      1   0.776972D+01  0.267278D+02  0.772087D+01 -0.954167D+01  0.503746D+01
      2  -0.319424D+01 -0.459213D+01  0.292525D+01  0.317378D-01 -0.140906D+01
      3  -0.457548D+01 -0.221357D+02 -0.106461D+02  0.950993D+01 -0.362840D+01
      4   0.166009D+02  0.680268D+01 -0.210924D+02  0.214632D+02 -0.102576D+01
      5   0.403237D+01  0.182038D+01  0.575832D+01 -0.610850D+00  0.103229D+02
      6  -0.372190D+00 -0.924432D+00 -0.159412D+01  0.565975D+00 -0.787088D+00
               121           122           123           124           125 
      1  -0.166317D+02 -0.173564D+01 -0.642413D+00  0.658378D+01  0.176674D+01
      2   0.250881D+01  0.198823D+02 -0.308257D+01 -0.222838D+01 -0.483486D+01
      3   0.141229D+02 -0.181467D+02  0.372498D+01 -0.435540D+01  0.306812D+01
      4   0.240520D+02 -0.499399D+02  0.800053D+01 -0.311257D+01  0.115361D+02
      5  -0.193226D+01  0.728320D+01 -0.103311D+02  0.124371D+02 -0.803021D+01
      6   0.764796D+00 -0.271905D+01  0.437048D+01 -0.258885D+01  0.656440D+01
               126           127           128           129           130 
      1   0.242030D+01  0.104042D+01  0.638527D+01 -0.888866D+01  0.998765D+01
      2  -0.838887D+00 -0.444126D+00 -0.271897D+01  0.178405D+00 -0.654294D+01
      3  -0.158142D+01 -0.596295D+00 -0.366630D+01  0.871026D+01 -0.344471D+01
      4  -0.863059D+01  0.347905D+01 -0.487085D+01  0.158184D+01  0.119585D+01
      5   0.325804D+01 -0.144072D+01 -0.811755D+00 -0.462144D+01 -0.959260D+01
      6  -0.268637D+01 -0.305051D+01  0.467166D+01 -0.183797D+01  0.219044D+00
               131           132           133           134           135 
      1  -0.162714D+02  0.889260D+01 -0.357170D+01  0.546492D+01 -0.114764D+02
      2   0.574653D+01  0.343412D+01  0.991463D+00  0.159955D+01 -0.146546D+01
      3   0.105248D+02 -0.123267D+02  0.258024D+01 -0.706448D+01  0.129419D+02
      4   0.293095D+02 -0.161646D+02 -0.827001D+00 -0.109390D+02  0.823942D+01
      5  -0.121737D+02  0.168258D+02  0.211490D+01  0.652031D+01 -0.928083D+01
      6  -0.198232D+02  0.136271D+02  0.407934D+00  0.109441D+02 -0.701045D+01
               136           137           138           139           140 
      1   0.117435D+03 -0.648111D+01 -0.215654D+02 -0.483226D+01  0.651584D+01
      2  -0.711541D+02  0.304997D+01  0.198534D+02  0.143386D+01 -0.421976D+01
      3  -0.462808D+02  0.343114D+01  0.171208D+01  0.339840D+01 -0.229608D+01
      4  -0.142440D+02  0.121844D+02  0.401329D+01  0.153860D+02 -0.136978D+01
      5  -0.685711D+02  0.455342D+01  0.314249D+02  0.282586D+01 -0.718416D+01
      6   0.609654D+01 -0.428209D+01 -0.239670D+01 -0.469529D+01  0.335009D+00
               141           142           143           144           145 
      1   0.266348D-01 -0.798392D+01 -0.138470D+01  0.847874D+01 -0.622683D+00
      2  -0.124930D+00  0.862741D+01  0.658450D-01 -0.717531D+01 -0.110514D+01
      3   0.982950D-01 -0.643489D+00  0.131885D+01 -0.130343D+01  0.172783D+01
      4  -0.592180D+01 -0.655993D-01 -0.349271D+01 -0.102481D+01 -0.374675D+01
      5  -0.102389D+01  0.178950D+02 -0.321038D+00 -0.777917D+01 -0.323113D+01
      6   0.433487D+01 -0.638892D+00  0.270011D+01  0.115349D+01  0.443689D+01
               146           147           148           149           150 
      1  -0.104465D+02 -0.162359D+02 -0.851867D+01 -0.198424D+02 -0.178305D+02
      2   0.376038D+01  0.156243D+01  0.534720D+01  0.799099D+01  0.227830D+00
      3   0.668615D+01  0.146734D+02  0.317146D+01  0.118514D+02  0.176027D+02
      4  -0.510451D+01 -0.328567D+01  0.248148D+01 -0.194569D+02 -0.190131D+02
      5  -0.851892D+00 -0.655035D+01  0.720827D+01 -0.150168D+02 -0.211683D+02
      6   0.702647D+01  0.650249D+01  0.139764D+00  0.187407D+02  0.200339D+02
               151           152           153           154           155 
      1  -0.570447D+01 -0.130867D+02 -0.254237D+02  0.170452D+03  0.368939D+02
      2   0.212549D+01 -0.164447D+00 -0.356924D+01 -0.756414D+02 -0.106435D+02
      3   0.357898D+01  0.132511D+02  0.289930D+02 -0.948106D+02 -0.262504D+02
      4   0.188472D+01 -0.139326D+02 -0.149244D+02  0.634380D+02  0.439604D+02
      5   0.412588D+01 -0.128591D+02 -0.234906D+02  0.132622D+02  0.506514D+01
      6   0.588003D+00  0.154274D+02  0.182854D+02  0.324306D+00  0.966069D+00
               156           157           158           159           160 
      1  -0.390026D+01  0.496442D+02  0.343813D+02 -0.388840D+01 -0.820257D+01
      2  -0.193444D+01 -0.110081D+02 -0.260267D+01 -0.657969D+00  0.253242D+00
      3   0.583470D+01 -0.386361D+02 -0.317786D+02  0.454636D+01  0.794933D+01
      4   0.156534D+01  0.629297D+02  0.519303D+02 -0.455427D+01 -0.599161D+01
      5   0.307668D+02  0.226999D+01  0.227247D+00  0.142852D+02  0.291482D+02
      6   0.546674D+01  0.386651D+01  0.344987D+01  0.630831D+01  0.688315D+01
               161           162           163           164           165 
      1  -0.347866D+01  0.168296D+02  0.513164D+02  0.151404D+02  0.111446D+02
      2  -0.873858D+00 -0.959261D+01 -0.329812D+02 -0.567851D+01 -0.944461D+01
      3   0.435252D+01 -0.723697D+01 -0.183352D+02 -0.946192D+01 -0.169997D+01
      4  -0.975570D+01  0.110059D+02  0.278610D+02  0.119596D+02  0.187211D+01
      5   0.101904D+02 -0.757516D+01  0.302481D+02  0.333512D+01  0.187171D+02
      6   0.512301D+01 -0.450232D+00  0.108867D+02  0.194102D+01  0.889330D+00
               166           167           168           169           170 
      1   0.209110D+02 -0.492287D+01 -0.950237D+01 -0.133028D+02 -0.799274D+01
      2  -0.108292D+02  0.237580D+01  0.148749D+01  0.154460D+01  0.234857D+01
      3  -0.100819D+02  0.254707D+01  0.801488D+01  0.117582D+02  0.564417D+01
      4   0.133431D+02  0.779574D+01  0.114481D+02 -0.656653D+01  0.167778D+01
      5   0.125239D+02  0.122054D+02  0.114354D+02  0.140456D+02  0.388357D+01
      6   0.324249D+01  0.695725D+01  0.122064D+02 -0.527515D+00  0.959695D+01
               171           172           173           174           175 
      1  -0.302095D+02 -0.473780D+02 -0.882587D+01  0.102806D+02 -0.210853D+02
      2  -0.153278D+02  0.263238D+02  0.394502D+01  0.397593D+01  0.139736D+02
      3   0.455373D+02  0.210542D+02  0.488085D+01 -0.142565D+02  0.711170D+01
      4   0.197301D+01 -0.215053D+02 -0.827119D+01 -0.183163D+01 -0.111174D+02
      5   0.464913D+02 -0.218770D+02 -0.478475D+01 -0.152985D+02 -0.125086D+02
      6   0.844280D+01 -0.816174D+01 -0.443820D+01 -0.279543D+01 -0.398590D+01
               176           177           178           179           180 
      1  -0.926526D+01  0.268382D+01 -0.206722D+01  0.900146D+00 -0.123095D+02
      2   0.475472D+01  0.336001D+01  0.796094D+01  0.540988D+00  0.327522D+01
      3   0.451055D+01 -0.604383D+01 -0.589371D+01 -0.144113D+01  0.903431D+01
      4  -0.434873D+01  0.176843D+01 -0.536844D+01 -0.393326D+00 -0.393367D+01
      5   0.753266D+00 -0.921008D+01 -0.869000D+01 -0.173543D+01  0.126773D+01
      6  -0.249495D+01  0.243471D+01 -0.263705D+01  0.166911D+01 -0.230834D+01
               181           182           183           184           185 
      1   0.393757D+02  0.533821D+02 -0.116721D+02 -0.399802D+02  0.170492D+02
      2  -0.257594D+02 -0.404940D+02  0.353492D+01  0.274168D+02 -0.204034D+02
      3  -0.136163D+02 -0.128881D+02  0.813716D+01  0.125634D+02  0.335414D+01
      4   0.847829D+01  0.315296D+02 -0.673380D+01  0.111078D+02  0.239310D+02
      5   0.110593D+01 -0.976086D+01  0.160743D+02  0.286757D+01 -0.107140D+02
      6  -0.207519D+01  0.680523D+01 -0.144223D+02 -0.700922D+01  0.899535D+01
               186           187           188           189           190 
      1  -0.210718D+01  0.752432D+01 -0.951223D+01 -0.373409D-01  0.947134D+02
      2   0.431224D+01 -0.136041D+02  0.143199D+02 -0.477792D+01 -0.531516D+02
      3  -0.220507D+01  0.607982D+01 -0.480771D+01  0.481526D+01 -0.415617D+02
      4  -0.110249D+02 -0.505451D+00 -0.137586D+02 -0.210399D+02 -0.120072D+02
      5  -0.837912D+01  0.310208D+02 -0.198666D+02  0.856681D+01  0.792801D+01
      6   0.532809D+01 -0.226453D+02  0.177240D+02  0.269936D-01 -0.113223D+00
               191           192           193           194           195 
      1  -0.213000D+02 -0.111633D-01 -0.864858D+02 -0.326632D+02  0.153481D+02
      2   0.567859D+01 -0.121853D+01  0.470319D+02  0.388625D+02 -0.166522D+02
      3   0.156214D+02  0.122970D+01  0.394539D+02 -0.619929D+01  0.130410D+01
      4   0.144476D+02 -0.115133D+01 -0.377448D+02 -0.530324D+02  0.982330D+01
      5  -0.141318D+01  0.751186D+01  0.177747D+02  0.864033D+01 -0.788161D+01
      6   0.321459D+01 -0.238721D+01  0.184473D+01 -0.112463D+02 -0.502266D+01
               196           197           198           199           200 
      1   0.159929D+02  0.104860D+02  0.207434D+02 -0.115771D+03 -0.212517D+01
      2  -0.945483D+01 -0.894082D+01 -0.186202D+02  0.546675D+02  0.826111D+01
      3  -0.653810D+01 -0.154521D+01 -0.212314D+01  0.611036D+02 -0.613593D+01
      4   0.162469D+02  0.581640D+01 -0.757184D+01 -0.860187D+01 -0.220570D+02
      5   0.477666D+02 -0.134940D+02  0.168727D+01  0.282953D+01  0.961784D+01
      6  -0.433361D+01  0.781945D+01  0.350837D+01  0.754918D+01 -0.409285D+01
               201           202           203           204           205 
      1   0.763641D+01  0.113632D+03  0.558059D+01 -0.876540D+01 -0.128553D+02
      2  -0.479431D+01 -0.714952D+02 -0.158389D+02  0.881901D+01  0.103412D+02
      3  -0.284210D+01 -0.421372D+02  0.102583D+02 -0.536091D-01  0.251413D+01
      4   0.779084D+01  0.168966D+02  0.213782D+02  0.179533D+01  0.377647D+00
      5   0.554715D+01 -0.295549D+01  0.254932D+01  0.142498D+02  0.698263D+01
      6   0.167368D+01  0.380016D+01  0.964183D+01  0.683361D+01  0.305983D+01
               206           207           208           209           210 
      1  -0.661308D+00 -0.102445D+02  0.341010D+02 -0.786289D+01  0.176080D+01
      2   0.342973D+01 -0.689548D+01 -0.186142D+02  0.424301D+01  0.142398D+01
      3  -0.276843D+01  0.171399D+02 -0.154867D+02  0.361988D+01 -0.318477D+01
      4   0.606555D+01  0.182208D+02 -0.210958D+02  0.951657D+01  0.322831D+01
      5   0.214178D+02 -0.962671D+01  0.410197D-01  0.260034D+01  0.209332D+02
      6   0.669126D+01  0.769994D+00  0.183950D+01 -0.114458D+01  0.107421D+01
               211           212           213           214           215 
      1  -0.587443D+01  0.438043D+01  0.208495D+01  0.501955D+00 -0.442818D+00
      2   0.687150D+00  0.174656D+00  0.352189D+01 -0.175259D-01  0.152644D+01
      3   0.518728D+01 -0.455509D+01 -0.560684D+01 -0.484429D+00 -0.108362D+01
      4   0.360302D+02 -0.204514D+02  0.394653D+01 -0.390223D+01  0.111629D+01
      5  -0.252296D+01  0.577839D+01  0.152417D+02  0.103601D+02 -0.698725D+01
      6  -0.793579D+00  0.306975D+01  0.100288D+02 -0.261194D+01  0.422439D+01
               216           217           218           219           220 
      1   0.258551D+01 -0.777457D+02  0.255921D+02  0.263405D+01  0.273805D+02
      2  -0.129687D+01  0.429184D+02 -0.130039D+02 -0.532530D+00 -0.120484D+02
      3  -0.128864D+01  0.348273D+02 -0.125882D+02 -0.210152D+01 -0.153321D+02
      4  -0.754687D+01  0.328025D+02  0.194812D+02 -0.736211D+01 -0.177029D+02
      5  -0.292621D+01  0.110690D+01 -0.705244D+01  0.107443D+02 -0.792131D+01
      6  -0.272484D+01 -0.377261D+01 -0.100303D+01  0.307143D+01 -0.413121D+01
               221           222           223           224           225 
      1   0.513135D+01 -0.973600D+01 -0.112298D+01 -0.636876D+01  0.127347D+02
      2  -0.475608D+01 -0.524224D+01 -0.551530D+01 -0.335046D+01 -0.413805D+01
      3  -0.375266D+00  0.149782D+02  0.663828D+01  0.971922D+01 -0.859665D+01
      4  -0.106338D+02 -0.210014D+02 -0.716196D+01 -0.177770D+02 -0.421898D+02
      5  -0.215314D+02 -0.689646D+02 -0.182161D+02 -0.403279D+02  0.286608D+02
      6  -0.509655D+01 -0.171295D+02 -0.112853D+02 -0.116001D+02  0.853740D+01
               226           227           228           229           230 
      1  -0.879174D+01 -0.188789D+02  0.437466D+01 -0.104497D+02 -0.487060D+02
      2   0.952802D+01  0.202124D+02 -0.339679D+01  0.114985D+02  0.578054D+02
      3  -0.736275D+00 -0.133354D+01 -0.977870D+00 -0.104887D+01 -0.909938D+01
      4   0.395967D+01  0.693968D+01 -0.109111D+01  0.285192D+01 -0.375955D+01
      5  -0.407637D+00 -0.622222D+00  0.140667D+01  0.221923D+00  0.219424D+01
      6  -0.281462D+01 -0.520474D+01  0.345839D+01 -0.297130D+01 -0.139957D+02
               231           232           233           234           235 
      1   0.986905D+01  0.271439D+01  0.102399D+02 -0.209550D+01  0.180536D+02
      2  -0.885709D+01 -0.288530D+01 -0.107331D+02  0.250084D+01  0.201688D+01
      3  -0.101197D+01  0.170910D+00  0.493262D+00 -0.405342D+00 -0.200705D+02
      4   0.969894D+00 -0.338739D+00  0.582073D+00  0.929362D+00 -0.396432D+02
      5  -0.139560D+01  0.229533D+01  0.434689D-01 -0.361740D+00  0.634822D+01
      6   0.886875D+01  0.146168D+00  0.518783D+01 -0.276488D+01 -0.288440D+01
               236           237           238           239           240 
      1  -0.106581D+02  0.116834D+01 -0.744147D+01 -0.402471D+01  0.362316D+00
      2  -0.739813D+01  0.128845D+00 -0.144047D+02  0.320924D+02 -0.214322D+01
      3   0.180562D+02 -0.129718D+01  0.218462D+02 -0.280677D+02  0.178091D+01
      4   0.392133D+02 -0.403003D+01  0.458278D+02 -0.629883D+02  0.740746D+01
      5  -0.563915D+01  0.538891D+01 -0.830040D+01  0.100775D+02 -0.705811D+01
      6   0.305300D+01 -0.344445D+01  0.637638D+01 -0.829993D+01  0.694618D+01
               241           242           243           244           245 
      1  -0.160585D+00  0.102791D+01 -0.167184D+01  0.184351D+02  0.116916D+02
      2   0.342943D+01 -0.413895D+01  0.233145D+01 -0.727299D+01 -0.389088D+01
      3  -0.326884D+01  0.311104D+01 -0.659609D+00 -0.111621D+02 -0.780074D+01
      4  -0.581764D+01  0.807537D+01 -0.347550D+01  0.207586D+02  0.153308D+02
      5  -0.236797D+00 -0.293800D+01  0.163091D+01 -0.461520D+01 -0.299186D+01
      6   0.760599D+00  0.320944D+01 -0.189620D+01 -0.114040D+01 -0.109625D+01
               246           247           248           249           250 
      1  -0.327456D+01  0.139314D+02 -0.353040D+00 -0.759031D+00 -0.388009D+01
      2   0.153714D+01 -0.813872D+00  0.115680D+02 -0.435318D+00  0.140551D+01
      3   0.173742D+01 -0.131176D+02 -0.112149D+02  0.119435D+01  0.247458D+01
      4  -0.366365D+01  0.265768D+02  0.363604D+02 -0.735663D+01 -0.610098D+01
      5   0.268219D+01 -0.517295D+01 -0.590971D+01  0.492732D+01  0.153147D+01
      6   0.100651D+01 -0.257160D+01 -0.412354D+01  0.432622D+01  0.205937D+01
               251           252           253           254           255 
      1  -0.106864D+01 -0.941187D+00 -0.236680D+01 -0.995192D-02 -0.110505D+02
      2  -0.106802D+01  0.188866D+01  0.689825D+00 -0.217503D+00  0.288602D+01
      3   0.213666D+01 -0.947468D+00  0.167698D+01  0.227455D+00  0.816446D+01
      4  -0.769788D+01  0.181472D+01 -0.390841D+01 -0.229964D+01 -0.206543D+00
      5   0.270270D+00 -0.841569D+00 -0.581663D+01  0.171412D+00 -0.788684D+01
      6   0.180862D+01 -0.169895D+01 -0.896420D+00  0.912394D+00 -0.302000D+01
               256           257           258           259           260 
      1   0.536222D+01  0.115081D+01  0.515086D+00 -0.309728D+02 -0.278289D+01
      2  -0.331931D+01  0.157263D+00  0.101052D+01  0.222199D+02  0.329341D+01
      3  -0.204291D+01 -0.130807D+01 -0.152561D+01  0.875286D+01 -0.510516D+00
      4   0.172416D+02  0.172081D+02 -0.167830D+02 -0.180140D+02 -0.162116D+02
      5  -0.121003D+02 -0.152880D+02  0.286228D+02  0.370657D+02  0.241803D+02
      6  -0.446477D+01 -0.675344D+01  0.117162D+02  0.992932D+01  0.101406D+02
               261           262           263           264           265 
      1  -0.197938D+01  0.209968D+03 -0.152247D+02 -0.845946D+01 -0.427389D+02
      2  -0.135903D+02 -0.110522D+03  0.892138D+01  0.530325D+01  0.235317D+02
      3   0.155697D+02 -0.994466D+02  0.630327D+01  0.315621D+01  0.192072D+02
      4   0.267541D+02 -0.580307D+01  0.148897D+02  0.980357D+00  0.204884D+02
      5  -0.688297D+02 -0.123539D+02  0.160559D+01  0.172616D+02  0.334932D+01
      6  -0.164656D+02  0.192365D+01 -0.899160D+00  0.524010D+00 -0.146004D+01
               266           267           268           269           270 
      1   0.185810D+02  0.203518D+01 -0.306162D+01  0.623018D+00  0.151943D+02
      2  -0.904122D+01 -0.987732D+00  0.263276D+01  0.150097D+00 -0.918329D+01
      3  -0.953980D+01 -0.104745D+01  0.428853D+00 -0.773115D+00 -0.601096D+01
      4  -0.957619D+01  0.543818D+00  0.106893D+01  0.159288D+01  0.193977D+01
      5   0.228451D+00 -0.249785D+01  0.230253D+02  0.107480D+01 -0.400184D+01
      6   0.102115D+01  0.145467D+01  0.354437D+00  0.204945D+01 -0.345586D+00
               271           272           273           274           275 
      1   0.546628D+01  0.457283D+01  0.902021D+01  0.212289D+02  0.865594D+01
      2  -0.169437D+01 -0.228793D+01 -0.479345D+01 -0.627178D+01  0.513987D+01
      3  -0.377191D+01 -0.228490D+01 -0.422675D+01 -0.149571D+02 -0.137958D+02
      4   0.241509D+01  0.140557D+01  0.221428D+01  0.351845D+02  0.424907D+02
      5   0.896583D+01  0.127137D+01 -0.416256D+01  0.170279D+02  0.259564D+02
      6   0.184568D+01 -0.196918D+00 -0.205359D+01  0.671474D+01  0.910623D+01
               276           277           278           279 
      1   0.363702D+01  0.336970D+02  0.753706D+01  0.180573D+01
      2   0.320303D+01 -0.151988D+02 -0.174050D+00 -0.244010D+01
      3  -0.684005D+01 -0.184983D+02 -0.736301D+01  0.634377D+00
      4   0.265315D+02  0.261681D+02  0.280055D+02  0.284174D+02
      5   0.301151D+02  0.258116D+02  0.273924D+02  0.365145D+02
      6   0.976796D+01  0.926876D+01  0.983050D+01  0.103093D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:30:48 2021, MaxMem=  5368709120 cpu:           41572.6 elap:            5209.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19506 -19.19394 -19.13584 -10.31772 -10.26258
 Alpha  occ. eigenvalues --  -10.25139 -10.21833 -10.21350 -10.21111 -10.20884
 Alpha  occ. eigenvalues --  -10.20523 -10.20489 -10.20404 -10.20311 -10.20148
 Alpha  occ. eigenvalues --  -10.19758 -10.18398  -1.10972  -1.09024  -1.02950
 Alpha  occ. eigenvalues --   -0.89817  -0.85420  -0.81103  -0.79053  -0.76281
 Alpha  occ. eigenvalues --   -0.74049  -0.71552  -0.66783  -0.64522  -0.62611
 Alpha  occ. eigenvalues --   -0.61732  -0.60389  -0.55232  -0.53931  -0.53316
 Alpha  occ. eigenvalues --   -0.51397  -0.48709  -0.48533  -0.46813  -0.46472
 Alpha  occ. eigenvalues --   -0.46269  -0.45405  -0.44122  -0.42978  -0.42747
 Alpha  occ. eigenvalues --   -0.42300  -0.41412  -0.40299  -0.39064  -0.38169
 Alpha  occ. eigenvalues --   -0.37013  -0.36658  -0.36110  -0.35384  -0.34327
 Alpha  occ. eigenvalues --   -0.32543  -0.32168  -0.30299  -0.27823  -0.25221
 Alpha  occ. eigenvalues --   -0.22756
 Alpha virt. eigenvalues --   -0.06036  -0.03147  -0.01990  -0.01364  -0.00628
 Alpha virt. eigenvalues --   -0.00433  -0.00143   0.00867   0.01041   0.01326
 Alpha virt. eigenvalues --    0.01863   0.01988   0.02675   0.03282   0.03580
 Alpha virt. eigenvalues --    0.04604   0.05044   0.05333   0.05924   0.06171
 Alpha virt. eigenvalues --    0.06280   0.06952   0.07160   0.07616   0.07767
 Alpha virt. eigenvalues --    0.08252   0.08596   0.08713   0.08973   0.09124
 Alpha virt. eigenvalues --    0.09419   0.09534   0.09929   0.10429   0.10561
 Alpha virt. eigenvalues --    0.10888   0.11039   0.11404   0.11703   0.11896
 Alpha virt. eigenvalues --    0.12068   0.12307   0.12910   0.13304   0.13376
 Alpha virt. eigenvalues --    0.13540   0.13963   0.14367   0.14515   0.14736
 Alpha virt. eigenvalues --    0.15136   0.15302   0.16042   0.16472   0.16942
 Alpha virt. eigenvalues --    0.17675   0.18127   0.18224   0.18642   0.19166
 Alpha virt. eigenvalues --    0.19557   0.19886   0.20113   0.20427   0.20947
 Alpha virt. eigenvalues --    0.21175   0.21431   0.21810   0.22080   0.22151
 Alpha virt. eigenvalues --    0.22639   0.23132   0.23292   0.23573   0.24191
 Alpha virt. eigenvalues --    0.24506   0.24689   0.24923   0.25136   0.25449
 Alpha virt. eigenvalues --    0.25753   0.25962   0.26288   0.26665   0.26803
 Alpha virt. eigenvalues --    0.27520   0.27844   0.28407   0.28526   0.28676
 Alpha virt. eigenvalues --    0.28958   0.29106   0.29594   0.29766   0.29921
 Alpha virt. eigenvalues --    0.30254   0.30966   0.31247   0.31562   0.31582
 Alpha virt. eigenvalues --    0.32287   0.32580   0.32882   0.33387   0.33677
 Alpha virt. eigenvalues --    0.34245   0.34359   0.34572   0.34818   0.35364
 Alpha virt. eigenvalues --    0.36094   0.36978   0.37096   0.37372   0.37629
 Alpha virt. eigenvalues --    0.38233   0.38739   0.38974   0.39240   0.39927
 Alpha virt. eigenvalues --    0.40254   0.40500   0.41088   0.41727   0.42086
 Alpha virt. eigenvalues --    0.42479   0.42601   0.43241   0.43595   0.44122
 Alpha virt. eigenvalues --    0.44623   0.45839   0.46349   0.46693   0.47036
 Alpha virt. eigenvalues --    0.47545   0.48501   0.48920   0.49365   0.49703
 Alpha virt. eigenvalues --    0.49932   0.50113   0.50722   0.50885   0.51445
 Alpha virt. eigenvalues --    0.51924   0.52509   0.52974   0.53410   0.53507
 Alpha virt. eigenvalues --    0.54142   0.54732   0.55523   0.55530   0.56024
 Alpha virt. eigenvalues --    0.56748   0.57138   0.57417   0.58010   0.58329
 Alpha virt. eigenvalues --    0.58763   0.58906   0.59743   0.59891   0.60081
 Alpha virt. eigenvalues --    0.60528   0.60778   0.61168   0.61679   0.62414
 Alpha virt. eigenvalues --    0.62749   0.63072   0.63586   0.64087   0.64332
 Alpha virt. eigenvalues --    0.64773   0.65166   0.65305   0.65771   0.66172
 Alpha virt. eigenvalues --    0.66994   0.67234   0.67734   0.68070   0.68445
 Alpha virt. eigenvalues --    0.68547   0.69691   0.69816   0.70326   0.70713
 Alpha virt. eigenvalues --    0.71623   0.72261   0.72935   0.73079   0.73426
 Alpha virt. eigenvalues --    0.73926   0.74487   0.74821   0.75114   0.75299
 Alpha virt. eigenvalues --    0.75519   0.75984   0.76447   0.77044   0.77691
 Alpha virt. eigenvalues --    0.78120   0.78962   0.79643   0.80143   0.80489
 Alpha virt. eigenvalues --    0.80965   0.81591   0.82531   0.82884   0.84135
 Alpha virt. eigenvalues --    0.84263   0.84708   0.85359   0.85818   0.86578
 Alpha virt. eigenvalues --    0.87834   0.88410   0.89541   0.90341   0.90932
 Alpha virt. eigenvalues --    0.91382   0.92163   0.92722   0.94379   0.95113
 Alpha virt. eigenvalues --    0.95822   0.97890   0.98186   0.99077   0.99552
 Alpha virt. eigenvalues --    1.00437   1.01140   1.01892   1.03275   1.03831
 Alpha virt. eigenvalues --    1.04784   1.04995   1.07156   1.07820   1.08312
 Alpha virt. eigenvalues --    1.09002   1.11277   1.12186   1.12747   1.13688
 Alpha virt. eigenvalues --    1.13916   1.15241   1.16181   1.16832   1.17619
 Alpha virt. eigenvalues --    1.18951   1.19565   1.20442   1.20778   1.22637
 Alpha virt. eigenvalues --    1.23398   1.24611   1.25411   1.25910   1.27290
 Alpha virt. eigenvalues --    1.28233   1.30007   1.31099   1.31166   1.31583
 Alpha virt. eigenvalues --    1.32607   1.34378   1.34857   1.36043   1.36577
 Alpha virt. eigenvalues --    1.36742   1.37875   1.38492   1.39796   1.40871
 Alpha virt. eigenvalues --    1.41384   1.41914   1.43131   1.43464   1.44094
 Alpha virt. eigenvalues --    1.45419   1.46586   1.46920   1.47382   1.48418
 Alpha virt. eigenvalues --    1.49021   1.49363   1.50896   1.51297   1.52198
 Alpha virt. eigenvalues --    1.52886   1.54012   1.54243   1.54605   1.56207
 Alpha virt. eigenvalues --    1.56431   1.57016   1.57994   1.58618   1.60368
 Alpha virt. eigenvalues --    1.61094   1.61587   1.61609   1.62518   1.62969
 Alpha virt. eigenvalues --    1.63687   1.64382   1.65579   1.65746   1.66501
 Alpha virt. eigenvalues --    1.67159   1.67915   1.68132   1.69721   1.71081
 Alpha virt. eigenvalues --    1.71819   1.72050   1.72717   1.73629   1.74555
 Alpha virt. eigenvalues --    1.75537   1.76695   1.76827   1.78049   1.78620
 Alpha virt. eigenvalues --    1.79852   1.81309   1.81809   1.82844   1.84547
 Alpha virt. eigenvalues --    1.85269   1.86553   1.87115   1.87608   1.88729
 Alpha virt. eigenvalues --    1.89279   1.89747   1.90669   1.91726   1.93405
 Alpha virt. eigenvalues --    1.93438   1.94206   1.94899   1.95502   1.96265
 Alpha virt. eigenvalues --    1.97167   1.98109   1.98627   1.99588   2.00413
 Alpha virt. eigenvalues --    2.00926   2.01268   2.01912   2.03634   2.04037
 Alpha virt. eigenvalues --    2.04529   2.05579   2.06705   2.07408   2.08808
 Alpha virt. eigenvalues --    2.10590   2.11019   2.11532   2.11779   2.12528
 Alpha virt. eigenvalues --    2.13560   2.14911   2.15975   2.17158   2.17623
 Alpha virt. eigenvalues --    2.18219   2.19066   2.21870   2.23598   2.24154
 Alpha virt. eigenvalues --    2.25645   2.27720   2.28878   2.29132   2.29800
 Alpha virt. eigenvalues --    2.32137   2.32946   2.33402   2.34749   2.36439
 Alpha virt. eigenvalues --    2.36708   2.37771   2.39756   2.41379   2.43139
 Alpha virt. eigenvalues --    2.44177   2.48970   2.50430   2.51212   2.51975
 Alpha virt. eigenvalues --    2.53481   2.56079   2.58254   2.59898   2.60474
 Alpha virt. eigenvalues --    2.61661   2.62955   2.63675   2.65709   2.68310
 Alpha virt. eigenvalues --    2.70586   2.71869   2.74692   2.74835   2.80584
 Alpha virt. eigenvalues --    2.80840   2.84170   2.85363   2.89259   2.89475
 Alpha virt. eigenvalues --    2.91676   2.94627   2.95152   3.04881   3.05864
 Alpha virt. eigenvalues --    3.11143   3.17043   3.21443   3.30048   3.33638
 Alpha virt. eigenvalues --    3.35999   3.38625   3.40097   3.40394   3.41864
 Alpha virt. eigenvalues --    3.43240   3.46671   3.47816   3.50053   3.51491
 Alpha virt. eigenvalues --    3.52714   3.53524   3.59240   3.66454   3.73071
 Alpha virt. eigenvalues --    3.75420   3.78885   3.81060   3.90761   4.01273
 Alpha virt. eigenvalues --    4.40814   4.68598
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   28.971371  -3.583798  -9.747408   1.534563  -2.755313   2.245203
     2  C   -3.583798  24.898088   2.533287  -0.793023   1.017685  -7.670624
     3  C   -9.747408   2.533287  31.467306  -8.783807  -2.628499   0.422955
     4  C    1.534563  -0.793023  -8.783807  22.254406  -4.959711  -0.997698
     5  C   -2.755313   1.017685  -2.628499  -4.959711  29.022722 -13.691301
     6  C    2.245203  -7.670624   0.422955  -0.997698 -13.691301  30.444150
     7  C  -14.201920   2.373395  -4.990950   2.088100  -3.093010   2.451689
     8  H    0.892245  -0.903304  -4.378081   1.281259   0.412628  -0.091316
     9  H   -0.050479  -0.471451   0.531115  -0.015828  -4.131640   2.264747
    10  H   -0.924128   0.340045  -0.165013  -0.077295   2.812294  -4.519435
    11  C    0.528575  -1.006243  -1.244895  -3.602336  -2.369560   1.749181
    12  C   -0.005038   0.002248  -0.274711  -0.320446   0.005764  -0.143141
    13  C   -0.087956  -0.030682  -0.478498   0.575394  -0.351224  -0.071019
    14  H   -0.118652  -0.054244   0.157109   0.007182   0.157755   0.040048
    15  H    0.081877  -0.102059  -0.169005  -0.310809   0.056436   0.042523
    16  H   -0.078122   0.045959   0.034220   0.959277  -0.161996  -0.034498
    17  H   -0.017569  -0.014643   0.229593  -0.844042   0.130700   0.048948
    18  O   -0.024506   0.027657   0.137392  -0.016399   0.009288  -0.022812
    19  O   -0.049670  -0.016746   0.150776  -0.261996   0.001554   0.032814
    20  H    0.027367  -0.057309  -0.086297   0.143585  -0.010281   0.022004
    21  C    6.404793  -6.994401   0.663414  -0.662414   1.400582  -1.123234
    22  C   -6.864919   1.303852  -0.380413   0.502187   0.197415   0.242986
    23  C    3.004715  -5.962223   1.198843  -1.696182   4.124792  -6.907371
    24  O    0.196428   0.081562  -0.018342   0.030118  -0.028315  -0.079821
    25  C   -0.355604   0.083781  -0.018101   0.000437   0.040909   0.027629
    26  H    2.089314  -0.240735   0.378313  -0.156161   0.048833  -0.120582
    27  H   -0.739448   0.268079  -0.064984   0.029615   0.003784   0.049919
    28  H   -0.526644   0.447854   0.049549  -0.077781   0.210462   0.238748
    29  H   -0.035424   0.113086  -0.002601   0.005180  -0.016228  -0.010352
    30  H    0.029044  -0.162297  -0.000971  -0.002284   0.010244   0.019572
    31  H   -0.034800   0.123057   0.000473   0.003746  -0.018006  -0.010840
               7          8          9         10         11         12
     1  C  -14.201920   0.892245  -0.050479  -0.924128   0.528575  -0.005038
     2  C    2.373395  -0.903304  -0.471451   0.340045  -1.006243   0.002248
     3  C   -4.990950  -4.378081   0.531115  -0.165013  -1.244895  -0.274711
     4  C    2.088100   1.281259  -0.015828  -0.077295  -3.602336  -0.320446
     5  C   -3.093010   0.412628  -4.131640   2.812294  -2.369560   0.005764
     6  C    2.451689  -0.091316   2.264747  -4.519435   1.749181  -0.143141
     7  C   41.063690   0.654417   0.116213  -0.204676   0.362391  -0.009949
     8  H    0.654417   4.525665  -0.037779  -0.001396  -0.097800   0.076291
     9  H    0.116213  -0.037779   4.090787  -0.376826   0.657411   0.016400
    10  H   -0.204676  -0.001396  -0.376826   3.917434   0.012416   0.006825
    11  C    0.362391  -0.097800   0.657411   0.012416  14.829280   0.026072
    12  C   -0.009949   0.076291   0.016400   0.006825   0.026072   4.922157
    13  C    0.062489   0.076360   0.010046   0.000648  -1.940095  -0.071827
    14  H    0.050055  -0.004837  -0.200325   0.006555  -1.619521   0.248195
    15  H    0.046457  -0.123613   0.004151  -0.000445  -0.187755   0.537011
    16  H   -0.002981   0.031089   0.006518  -0.000067  -0.409999  -0.227088
    17  H   -0.024008   0.012130  -0.006195   0.003547   0.665134   0.004441
    18  O   -0.011156  -0.012499   0.000527  -0.000261  -0.211745   0.075357
    19  O    0.003267   0.015252   0.001210   0.001109   0.410754  -0.014894
    20  H    0.023660  -0.007806  -0.014464  -0.000433  -0.183302   0.010203
    21  C  -21.006925   0.261181   0.047182   0.011654  -0.202957   0.017022
    22  C    8.893330   0.018228  -0.058779   0.250861   0.146636  -0.011841
    23  C   -7.425622  -0.097854  -0.293840   1.256034  -0.428839  -0.031288
    24  O   -0.258729   0.000185  -0.000201   0.002917  -0.000847   0.000062
    25  C    0.541340  -0.001046  -0.001155   0.016476   0.000859  -0.000036
    26  H   -5.392385  -0.356047   0.006294  -0.005407  -0.002809   0.005566
    27  H    2.287317  -0.000884  -0.001915   0.008790  -0.002048   0.000166
    28  H   -0.243085   0.012327   0.015199  -0.310051  -0.010713   0.000584
    29  H    0.050127  -0.000706  -0.000772   0.004667   0.000776  -0.000033
    30  H   -0.012226   0.000106   0.000251  -0.002280  -0.000184   0.000031
    31  H    0.048865  -0.000266  -0.000877   0.004851   0.000678  -0.000112
              13         14         15         16         17         18
     1  C   -0.087956  -0.118652   0.081877  -0.078122  -0.017569  -0.024506
     2  C   -0.030682  -0.054244  -0.102059   0.045959  -0.014643   0.027657
     3  C   -0.478498   0.157109  -0.169005   0.034220   0.229593   0.137392
     4  C    0.575394   0.007182  -0.310809   0.959277  -0.844042  -0.016399
     5  C   -0.351224   0.157755   0.056436  -0.161996   0.130700   0.009288
     6  C   -0.071019   0.040048   0.042523  -0.034498   0.048948  -0.022812
     7  C    0.062489   0.050055   0.046457  -0.002981  -0.024008  -0.011156
     8  H    0.076360  -0.004837  -0.123613   0.031089   0.012130  -0.012499
     9  H    0.010046  -0.200325   0.004151   0.006518  -0.006195   0.000527
    10  H    0.000648   0.006555  -0.000445  -0.000067   0.003547  -0.000261
    11  C   -1.940095  -1.619521  -0.187755  -0.409999   0.665134  -0.211745
    12  C   -0.071827   0.248195   0.537011  -0.227088   0.004441   0.075357
    13  C    7.748158   0.159143  -0.019786   0.053598  -0.125070   0.112324
    14  H    0.159143   2.742521   0.130622  -0.028997  -0.069560   0.052584
    15  H   -0.019786   0.130622   1.996582  -0.463174  -0.328826   0.041628
    16  H    0.053598  -0.028997  -0.463174   2.119510  -0.470435  -0.020368
    17  H   -0.125070  -0.069560  -0.328826  -0.470435   2.099219   0.019806
    18  O    0.112324   0.052584   0.041628  -0.020368   0.019806   8.480022
    19  O   -0.429076   0.002877   0.008244  -0.007382   0.008541  -0.078790
    20  H    0.053370   0.033753   0.004239   0.001081  -0.003506   0.007928
    21  C    0.005798  -0.014401   0.007946   0.001728  -0.003097  -0.000186
    22  C    0.004936   0.009072   0.000382  -0.000574  -0.000300  -0.000925
    23  C   -0.040873  -0.022317  -0.015697   0.001595   0.006508   0.003533
    24  O    0.000005  -0.000113   0.000110  -0.000010   0.000013   0.000001
    25  C   -0.000020   0.000102  -0.000040  -0.000010   0.000062   0.000000
    26  H   -0.001879  -0.004187   0.010995  -0.001550  -0.000974   0.000043
    27  H   -0.000062   0.000108  -0.000630   0.000086   0.000197   0.000054
    28  H   -0.001005  -0.001882  -0.000401   0.000144   0.000051   0.000095
    29  H    0.000008   0.000135   0.000028  -0.000004  -0.000008  -0.000002
    30  H   -0.000009  -0.000045  -0.000009   0.000002   0.000011   0.000001
    31  H    0.000059   0.000158  -0.000019  -0.000003  -0.000037  -0.000003
              19         20         21         22         23         24
     1  C   -0.049670   0.027367   6.404793  -6.864919   3.004715   0.196428
     2  C   -0.016746  -0.057309  -6.994401   1.303852  -5.962223   0.081562
     3  C    0.150776  -0.086297   0.663414  -0.380413   1.198843  -0.018342
     4  C   -0.261996   0.143585  -0.662414   0.502187  -1.696182   0.030118
     5  C    0.001554  -0.010281   1.400582   0.197415   4.124792  -0.028315
     6  C    0.032814   0.022004  -1.123234   0.242986  -6.907371  -0.079821
     7  C    0.003267   0.023660 -21.006925   8.893330  -7.425622  -0.258729
     8  H    0.015252  -0.007806   0.261181   0.018228  -0.097854   0.000185
     9  H    0.001210  -0.014464   0.047182  -0.058779  -0.293840  -0.000201
    10  H    0.001109  -0.000433   0.011654   0.250861   1.256034   0.002917
    11  C    0.410754  -0.183302  -0.202957   0.146636  -0.428839  -0.000847
    12  C   -0.014894   0.010203   0.017022  -0.011841  -0.031288   0.000062
    13  C   -0.429076   0.053370   0.005798   0.004936  -0.040873   0.000005
    14  H    0.002877   0.033753  -0.014401   0.009072  -0.022317  -0.000113
    15  H    0.008244   0.004239   0.007946   0.000382  -0.015697   0.000110
    16  H   -0.007382   0.001081   0.001728  -0.000574   0.001595  -0.000010
    17  H    0.008541  -0.003506  -0.003097  -0.000300   0.006508   0.000013
    18  O   -0.078790   0.007928  -0.000186  -0.000925   0.003533   0.000001
    19  O    8.481678   0.192592   0.004823  -0.003810  -0.002904   0.000004
    20  H    0.192592   0.696149  -0.000530   0.001921  -0.010796   0.000029
    21  C    0.004823  -0.000530  34.213689 -10.448447   4.487163   0.017884
    22  C   -0.003810   0.001921 -10.448447  19.896815  -7.954288  -0.987974
    23  C   -0.002904  -0.010796   4.487163  -7.954288  23.622092   0.688387
    24  O    0.000004   0.000029   0.017884  -0.987974   0.688387   9.354476
    25  C   -0.000019  -0.000011  -0.540603   0.190797  -0.209258   0.204693
    26  H   -0.001854  -0.001197   3.002249  -1.202621   0.405591  -0.005836
    27  H    0.000099   0.000186  -4.147379   1.711507  -0.334090  -0.147144
    28  H    0.000092  -0.000049   0.565923   1.157698  -3.594814  -0.204462
    29  H   -0.000014   0.000002  -0.064066  -0.094378   0.027762   0.116088
    30  H    0.000003  -0.000010   0.051139   0.321507  -0.044014  -0.455832
    31  H   -0.000011   0.000029  -0.071722  -0.076120   0.015650   0.114935
              25         26         27         28         29         30
     1  C   -0.355604   2.089314  -0.739448  -0.526644  -0.035424   0.029044
     2  C    0.083781  -0.240735   0.268079   0.447854   0.113086  -0.162297
     3  C   -0.018101   0.378313  -0.064984   0.049549  -0.002601  -0.000971
     4  C    0.000437  -0.156161   0.029615  -0.077781   0.005180  -0.002284
     5  C    0.040909   0.048833   0.003784   0.210462  -0.016228   0.010244
     6  C    0.027629  -0.120582   0.049919   0.238748  -0.010352   0.019572
     7  C    0.541340  -5.392385   2.287317  -0.243085   0.050127  -0.012226
     8  H   -0.001046  -0.356047  -0.000884   0.012327  -0.000706   0.000106
     9  H   -0.001155   0.006294  -0.001915   0.015199  -0.000772   0.000251
    10  H    0.016476  -0.005407   0.008790  -0.310051   0.004667  -0.002280
    11  C    0.000859  -0.002809  -0.002048  -0.010713   0.000776  -0.000184
    12  C   -0.000036   0.005566   0.000166   0.000584  -0.000033   0.000031
    13  C   -0.000020  -0.001879  -0.000062  -0.001005   0.000008  -0.000009
    14  H    0.000102  -0.004187   0.000108  -0.001882   0.000135  -0.000045
    15  H   -0.000040   0.010995  -0.000630  -0.000401   0.000028  -0.000009
    16  H   -0.000010  -0.001550   0.000086   0.000144  -0.000004   0.000002
    17  H    0.000062  -0.000974   0.000197   0.000051  -0.000008   0.000011
    18  O    0.000000   0.000043   0.000054   0.000095  -0.000002   0.000001
    19  O   -0.000019  -0.001854   0.000099   0.000092  -0.000014   0.000003
    20  H   -0.000011  -0.001197   0.000186  -0.000049   0.000002  -0.000010
    21  C   -0.540603   3.002249  -4.147379   0.565923  -0.064066   0.051139
    22  C    0.190797  -1.202621   1.711507   1.157698  -0.094378   0.321507
    23  C   -0.209258   0.405591  -0.334090  -3.594814   0.027762  -0.044014
    24  O    0.204693  -0.005836  -0.147144  -0.204462   0.116088  -0.455832
    25  C    4.069733  -0.010044   0.062813  -0.029913   0.289599   0.053047
    26  H   -0.010044   3.874140  -0.263278   0.012566  -0.001162   0.000340
    27  H    0.062813  -0.263278   3.304143  -0.064894   0.013654  -0.013988
    28  H   -0.029913   0.012566  -0.064894   4.728519  -0.098963   0.067146
    29  H    0.289599  -0.001162   0.013654  -0.098963   1.643100  -0.600236
    30  H    0.053047   0.000340  -0.013988   0.067146  -0.600236   2.962982
    31  H    0.282760  -0.001652   0.014181  -0.103719  -0.147507  -0.603131
              31
     1  C   -0.034800
     2  C    0.123057
     3  C    0.000473
     4  C    0.003746
     5  C   -0.018006
     6  C   -0.010840
     7  C    0.048865
     8  H   -0.000266
     9  H   -0.000877
    10  H    0.004851
    11  C    0.000678
    12  C   -0.000112
    13  C    0.000059
    14  H    0.000158
    15  H   -0.000019
    16  H   -0.000003
    17  H   -0.000037
    18  O   -0.000003
    19  O   -0.000011
    20  H    0.000029
    21  C   -0.071722
    22  C   -0.076120
    23  C    0.015650
    24  O    0.114935
    25  C    0.282760
    26  H   -0.001652
    27  H    0.014181
    28  H   -0.103719
    29  H   -0.147507
    30  H   -0.603131
    31  H    1.651265
 Mulliken charges:
               1
     1  C    0.195902
     2  C    0.404148
     3  C    1.478229
     4  C    0.163165
     5  C    0.551238
     6  C    1.150926
     7  C    1.760822
     8  H   -1.154126
     9  H   -1.105523
    10  H   -1.069409
    11  C    0.131483
    12  C    1.156010
    13  C    0.786745
    14  H   -0.658892
    15  H   -0.246965
    16  H   -0.347550
    17  H   -0.320628
    18  O   -0.568588
    19  O   -0.448525
    20  H    0.157893
    21  C    0.116194
    22  C   -0.764740
    23  C    2.229605
    24  O   -0.620271
    25  C    1.300823
    26  H   -1.063883
    27  H   -0.973954
    28  H   -1.238582
    29  H   -0.191755
    30  H   -0.617908
    31  H   -0.191883
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.195902
     2  C    0.404148
     3  C    0.324103
     4  C    0.163165
     5  C   -0.554286
     6  C    0.081517
     7  C    0.696939
    11  C   -0.527409
    12  C    0.240867
    13  C    0.786745
    18  O   -0.568588
    19  O   -0.290631
    21  C   -0.857760
    22  C   -0.764740
    23  C    0.991023
    24  O   -0.620271
    25  C    0.299277
 Electronic spatial extent (au):  <R**2>=           5400.5554
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.1616    Y=              3.1915    Z=              0.7563  Tot=              6.1155
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -112.6106   YY=            -94.7526   ZZ=           -104.3498
   XY=             -5.3239   XZ=             -7.9443   YZ=             -4.2917
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.7063   YY=              9.1517   ZZ=             -0.4455
   XY=             -5.3239   XZ=             -7.9443   YZ=             -4.2917
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            204.4858  YYY=             -4.8053  ZZZ=             -6.5027  XYY=              9.4483
  XXY=             83.5412  XXZ=             16.0842  XZZ=              1.4414  YZZ=              1.1074
  YYZ=              0.7333  XYZ=              5.5566
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6106.0770 YYYY=           -770.2969 ZZZZ=           -469.5016 XXXY=            -77.6774
 XXXZ=           -153.3086 YYYX=            -12.9039 YYYZ=            -15.7164 ZZZX=             -1.9144
 ZZZY=              1.2961 XXYY=          -1123.8435 XXZZ=          -1094.3577 YYZZ=           -225.5175
 XXYZ=            -43.5942 YYXZ=              1.9931 ZZXY=             -3.0325
 N-N= 1.136415014038D+03 E-N=-4.060812728671D+03  KE= 7.634197452351D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:30:49 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.03985586D+00 1.24897840D+00 2.79794449D-01
 Polarizability= 2.69966724D+02-8.74665879D+00 1.63259685D+02
                -9.92468520D+00-7.70018486D+00 1.12641812D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        5.2105    5.2108       -6.2899   -6.2900
 2     -5.2105   -5.2108        4.2406    4.2405      -63.5779  -63.5810
 3      6.2899    6.2900       92.0791   92.0846       -4.2449   -4.2405
 4     -4.2406   -4.2405       -0.0000    0.0000        6.2895    6.2900
 5    -28.5013  -28.5036       -6.2894   -6.2900        5.2136    5.2108
 6      4.2449    4.2405       -5.2136   -5.2108        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -15.6325  -15.6325      -18.8700  -18.8700
 2    -12.7216  -12.7216       -0.0000    0.0000      -18.8700  -18.8700
 3    -12.7216  -12.7216      -15.6325  -15.6325        0.0000    0.0000
 4    -15.6325  -15.6325       12.7216   12.7216     -190.7429 -190.7429
 5     18.8700   18.8700      276.2537  276.2537      -12.7216  -12.7216
 6    -85.5109  -85.5109      -18.8700  -18.8700       15.6325   15.6325
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1205    0.0000      -20.6670  -20.8433       25.3835   25.1600
 2     20.8548   20.8433      -17.2095  -16.9622      254.2129  254.3238
 3    -25.3335  -25.1600     -368.3769 -368.3383       16.9036   16.9622
 4     16.8879   16.9622        0.0691    0.0000      -25.0907  -25.1600
 5    113.8129  114.0145       25.3672   25.1600      -21.0150  -20.8433
 6    -17.0159  -16.9622       21.1855   20.8433        0.0822    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1459    0.0000       33.6950   33.3132        7.1047    7.1843
 2    -33.3596  -33.3132      -91.4546  -90.8854        3.9865    4.2409
 3     -7.1276   -7.1843       67.6382   66.9457       90.4438   90.8854
 4     90.8971   90.8854        0.1631    0.0000       -7.1006   -7.1843
 5    -71.1139  -71.1866        7.3592    7.1843       33.1899   33.3132
 6    -90.9792  -90.8854      -33.3063  -33.3132       -0.0219    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     40.4829   40.4618       43.0399   43.4665        6.4223    6.4300
 2    191.6187  191.5411      115.1927  115.3358        6.4615    6.4300
 3    191.6842  191.5411       43.3823   43.4665       -2.4675   -2.5469
 4    -72.0176  -71.8692     -151.5938 -151.0793       20.1350   20.0757
 5     -8.6548   -8.9769       72.8682   72.7220      151.6260  151.0793
 6    -92.7080  -92.7976       10.0264    8.9769       72.1006   71.8692
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9330   -1.2631   -0.0005    0.0001    0.0007    3.6137
 Low frequencies ---   20.9639   30.9939   46.3843
 Diagonal vibrational polarizability:
      126.3919677     136.0127577      98.8231612
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     20.9332                30.9816                46.3837
 Red. masses --      4.6169                 7.2286                 5.1424
 Frc consts  --      0.0012                 0.0041                 0.0065
 IR Inten    --      2.4872                 5.1536                 0.2753
 RamAct Fr= 1--      4.1393                 2.5854                 3.6331
  Dep-P Fr= 1--      0.7454                 0.7460                 0.7400
  Dep-U Fr= 1--      0.8542                 0.8545                 0.8505
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0006
 Beta2  Fr= 1--      0.5893                 0.3682                 0.5150
 AlphaG Fr= 1--     -0.0018                 0.0076                 0.0040
 Gamma2 Fr= 1--      0.7760                -0.6139                 2.0196
 Delta2 Fr= 1--      0.9659                -0.7157                 0.5275
 Raman1 Fr= 1--      16.557                 10.341                 14.532
 ROA1   Fr= 1--     105.401                -81.836                210.766
 CID1   Fr= 1--       6.366                 -7.913                 14.503
 Raman2 Fr= 1--       7.071                  4.419                  6.180
 ROA2   Fr= 1--      10.896                 -9.008                 44.251
 CID2   Fr= 1--       1.541                 -2.039                  7.160
 Raman3 Fr= 1--      14.143                  8.837                 12.360
 ROA3   Fr= 1--     105.401                -81.836                210.766
 CID3   Fr= 1--       7.453                 -9.260                 17.052
 RC180  Fr= 1--       0.708                  0.709                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.11    -0.02   0.02   0.06    -0.02   0.03   0.09
     2   6     0.01   0.02   0.02    -0.01  -0.00  -0.00    -0.01   0.04   0.13
     3   6    -0.02   0.01  -0.14    -0.02   0.03   0.07    -0.02   0.04   0.07
     4   6     0.00   0.03  -0.07    -0.01   0.03   0.03    -0.01   0.04   0.07
     5   6     0.02   0.05   0.04    -0.01   0.01  -0.03     0.00   0.05   0.15
     6   6     0.02   0.04   0.09    -0.01  -0.00  -0.05     0.00   0.05   0.19
     7   6    -0.03  -0.02  -0.18    -0.03   0.02   0.11    -0.03   0.02   0.03
     8   1    -0.03   0.00  -0.23    -0.03   0.04   0.10    -0.03   0.03   0.02
     9   1     0.04   0.06   0.10    -0.00   0.01  -0.06     0.01   0.06   0.17
    10   1     0.04   0.05   0.17    -0.00  -0.02  -0.09     0.01   0.06   0.24
    11   6     0.00   0.05  -0.07    -0.01   0.02   0.01    -0.02   0.03  -0.06
    12   6     0.02   0.23  -0.04    -0.04   0.00  -0.01    -0.15   0.12  -0.08
    13   6     0.01  -0.08   0.06     0.07  -0.01  -0.02     0.09  -0.06  -0.05
    14   1    -0.00   0.01  -0.19    -0.02   0.01  -0.00    -0.01  -0.00  -0.16
    15   1     0.02   0.27   0.07    -0.06  -0.00  -0.01    -0.15   0.16   0.02
    16   1     0.02   0.24  -0.02    -0.04   0.00  -0.02    -0.15   0.09  -0.18
    17   1     0.03   0.30  -0.14    -0.06  -0.01   0.01    -0.23   0.18  -0.10
    18   8     0.09  -0.16   0.18     0.28  -0.35   0.06     0.07  -0.06  -0.10
    19   8    -0.08  -0.10   0.01    -0.09   0.36  -0.15     0.20  -0.14   0.02
    20   1    -0.12  -0.02  -0.09    -0.20   0.58  -0.21     0.20  -0.13   0.06
    21   6    -0.03  -0.03  -0.13    -0.03  -0.00   0.09    -0.04  -0.01  -0.03
    22   6    -0.01  -0.01  -0.01    -0.02  -0.02   0.02    -0.03  -0.01  -0.02
    23   6     0.01   0.01   0.06    -0.02  -0.02  -0.03    -0.01   0.01   0.08
    24   8    -0.01  -0.02   0.03    -0.03  -0.04  -0.01    -0.04  -0.04  -0.14
    25   6     0.02  -0.00   0.17    -0.02  -0.06  -0.10    -0.03  -0.06  -0.23
    26   1    -0.05  -0.03  -0.27    -0.03   0.03   0.16    -0.04   0.02   0.02
    27   1    -0.04  -0.04  -0.19    -0.04   0.00   0.12    -0.05  -0.02  -0.09
    28   1     0.03   0.02   0.16    -0.01  -0.03  -0.08    -0.00   0.01   0.09
    29   1     0.06   0.09   0.20    -0.04  -0.11  -0.11    -0.14  -0.06  -0.19
    30   1     0.02  -0.01   0.19    -0.02  -0.07  -0.11    -0.04  -0.09  -0.35
    31   1    -0.01  -0.07   0.23     0.01  -0.01  -0.14     0.09  -0.06  -0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --     90.6615               121.1625               144.1336
 Red. masses --      3.9827                 4.3007                 4.3281
 Frc consts  --      0.0193                 0.0372                 0.0530
 IR Inten    --      3.4036                 0.0874                 0.1758
 RamAct Fr= 1--      0.9572                 0.4142                 1.2723
  Dep-P Fr= 1--      0.6921                 0.4401                 0.6431
  Dep-U Fr= 1--      0.8181                 0.6112                 0.7828
 Alpha2 Fr= 1--      0.0010                 0.0026                 0.0025
 Beta2  Fr= 1--      0.1305                 0.0422                 0.1660
 AlphaG Fr= 1--     -0.0021                -0.0107                -0.0127
 Gamma2 Fr= 1--     -0.6911                -0.2928                 1.9942
 Delta2 Fr= 1--     -0.3584                 0.0897                 1.4598
 Raman1 Fr= 1--       3.829                  1.657                  5.089
 ROA1   Fr= 1--     -77.809                -25.235                238.152
 CID1   Fr= 1--     -20.322                -15.230                 46.796
 Raman2 Fr= 1--       1.566                  0.506                  1.992
 ROA2   Fr= 1--     -13.719                 -7.743                 36.182
 CID2   Fr= 1--      -8.759                -15.293                 18.165
 Raman3 Fr= 1--       3.132                  1.013                  3.984
 ROA3   Fr= 1--     -77.809                -25.235                238.152
 CID3   Fr= 1--     -24.841                -24.920                 59.782
 RC180  Fr= 1--       0.636                  0.222                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.04   0.08  -0.10    -0.01  -0.09  -0.10
     2   6    -0.02   0.00  -0.09    -0.02   0.07  -0.06    -0.03  -0.09  -0.11
     3   6    -0.01   0.05   0.12    -0.03   0.10  -0.10    -0.01  -0.07  -0.00
     4   6    -0.01   0.05   0.09    -0.02   0.11  -0.03     0.01  -0.04   0.10
     5   6    -0.02   0.02  -0.03    -0.02   0.11  -0.01     0.00  -0.05   0.07
     6   6    -0.02  -0.00  -0.11    -0.01   0.09  -0.04    -0.01  -0.07  -0.05
     7   6    -0.04   0.01  -0.00    -0.10   0.05  -0.09     0.01  -0.08  -0.13
     8   1    -0.01   0.07   0.20    -0.04   0.10  -0.12    -0.02  -0.07  -0.01
     9   1    -0.01   0.02  -0.07    -0.00   0.12   0.02     0.01  -0.04   0.14
    10   1    -0.02  -0.02  -0.20    -0.00   0.09  -0.02    -0.00  -0.08  -0.07
    11   6    -0.01   0.02   0.06    -0.00   0.00   0.05     0.00   0.03   0.06
    12   6    -0.07  -0.01   0.04     0.12  -0.19   0.06    -0.13   0.14   0.03
    13   6     0.08  -0.01   0.02     0.06  -0.03   0.03     0.05   0.04   0.03
    14   1    -0.03   0.01   0.05    -0.12  -0.01   0.15     0.07   0.03  -0.01
    15   1    -0.04   0.00   0.05     0.28  -0.18  -0.06    -0.19   0.15   0.14
    16   1    -0.07  -0.07  -0.02     0.12  -0.34   0.14    -0.13   0.18  -0.07
    17   1    -0.14   0.01   0.06     0.07  -0.20   0.11    -0.17   0.17   0.02
    18   8     0.08  -0.03  -0.05     0.06  -0.05  -0.00     0.04   0.02  -0.03
    19   8     0.17  -0.01   0.07     0.12  -0.07   0.06     0.12   0.07   0.06
    20   1     0.16   0.01   0.13     0.11  -0.04   0.09     0.12   0.06   0.11
    21   6    -0.05  -0.02  -0.09    -0.09   0.02   0.01     0.02  -0.04  -0.04
    22   6    -0.04  -0.03  -0.12    -0.05   0.01   0.06     0.01  -0.01   0.03
    23   6    -0.03  -0.02  -0.15    -0.01   0.03  -0.00    -0.03  -0.05  -0.09
    24   8    -0.04  -0.04  -0.11    -0.05  -0.05   0.18     0.03   0.10   0.23
    25   6     0.00   0.02   0.26     0.01  -0.15  -0.07    -0.08   0.10  -0.09
    26   1    -0.05   0.03   0.06    -0.14   0.07  -0.13     0.04  -0.10  -0.17
    27   1    -0.05  -0.02  -0.09    -0.12   0.01   0.04     0.04  -0.02  -0.01
    28   1    -0.02  -0.04  -0.20     0.04   0.02   0.03    -0.06  -0.04  -0.07
    29   1     0.19   0.21   0.29     0.01  -0.33  -0.15    -0.09  -0.24  -0.23
    30   1     0.01   0.03   0.40    -0.01  -0.22  -0.04    -0.05   0.20   0.05
    31   1    -0.16  -0.15   0.38     0.09   0.01  -0.21    -0.19   0.33  -0.33
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.2079               188.3465               218.4087
 Red. masses --      3.3711                 3.4736                 1.0807
 Frc consts  --      0.0659                 0.0726                 0.0304
 IR Inten    --      0.5494                 1.9241                 0.6819
 RamAct Fr= 1--      5.0802                 2.5930                 0.3751
  Dep-P Fr= 1--      0.3417                 0.3347                 0.4484
  Dep-U Fr= 1--      0.5093                 0.5015                 0.6191
 Alpha2 Fr= 1--      0.0458                 0.0239                 0.0023
 Beta2  Fr= 1--      0.4313                 0.2167                 0.0387
 AlphaG Fr= 1--      0.0144                 0.0257                 0.0003
 Gamma2 Fr= 1--      2.5373                -4.0719                 0.0535
 Delta2 Fr= 1--     -1.1579                 0.0268                -0.0352
 Raman1 Fr= 1--      20.321                 10.372                  1.501
 ROA1   Fr= 1--     206.523               -390.047                  4.006
 CID1   Fr= 1--      10.163                -37.606                  2.670
 Raman2 Fr= 1--       5.175                  2.601                  0.465
 ROA2   Fr= 1--      70.157                -97.940                  1.564
 CID2   Fr= 1--      13.557                -37.659                  3.368
 Raman3 Fr= 1--      10.350                  5.201                  0.929
 ROA3   Fr= 1--     206.523               -390.047                  4.006
 CID3   Fr= 1--      19.954                -74.989                  4.312
 RC180  Fr= 1--       0.019                  0.003                  0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.05    -0.02  -0.04  -0.07    -0.00   0.01   0.01
     2   6     0.02   0.04  -0.09    -0.02  -0.04  -0.07     0.00   0.00   0.00
     3   6     0.02  -0.00  -0.02    -0.03  -0.02  -0.15    -0.00   0.01   0.01
     4   6    -0.02  -0.02   0.06     0.02   0.02  -0.04     0.00   0.01   0.00
     5   6    -0.02   0.01   0.16     0.04   0.05   0.16     0.01   0.01  -0.00
     6   6    -0.02   0.04   0.05     0.03   0.01   0.10     0.01   0.01   0.00
     7   6     0.04   0.06   0.02    -0.02  -0.01   0.12    -0.01   0.00  -0.00
     8   1     0.07  -0.03  -0.06    -0.06  -0.02  -0.24    -0.00   0.01   0.01
     9   1    -0.03   0.02   0.28     0.06   0.09   0.34     0.01   0.01  -0.00
    10   1    -0.07   0.07   0.09     0.07   0.01   0.21     0.01   0.00  -0.00
    11   6    -0.04  -0.04   0.01     0.03   0.02  -0.03     0.00   0.02  -0.01
    12   6    -0.16  -0.00  -0.02     0.11  -0.01  -0.01    -0.02  -0.03  -0.03
    13   6    -0.05  -0.03  -0.00     0.03   0.01  -0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.04  -0.03     0.00   0.02  -0.01     0.02   0.03   0.01
    15   1    -0.22  -0.01   0.02     0.16  -0.00  -0.05    -0.51  -0.28  -0.25
    16   1    -0.16   0.03  -0.12     0.12  -0.03   0.07    -0.01   0.51   0.06
    17   1    -0.19  -0.00   0.00     0.15  -0.01  -0.02     0.42  -0.37   0.10
    18   8    -0.06  -0.02  -0.00     0.03   0.01   0.01     0.02   0.00   0.03
    19   8    -0.08  -0.01  -0.02     0.02  -0.02  -0.01     0.00  -0.03   0.00
    20   1    -0.08  -0.02  -0.03     0.02  -0.02  -0.03    -0.00  -0.01  -0.02
    21   6     0.04   0.07   0.05    -0.01  -0.01   0.20    -0.01  -0.00  -0.01
    22   6     0.04   0.05  -0.05    -0.03  -0.04  -0.03    -0.00  -0.00  -0.00
    23   6     0.03   0.04  -0.17    -0.04  -0.07  -0.15    -0.00  -0.00  -0.01
    24   8     0.04  -0.03   0.04    -0.03   0.01  -0.08    -0.00   0.00   0.01
    25   6     0.20  -0.14   0.02    -0.13   0.09   0.03    -0.01   0.01  -0.00
    26   1     0.05   0.07   0.08    -0.02   0.01   0.24    -0.01   0.00  -0.01
    27   1     0.05   0.09   0.15    -0.00   0.03   0.39    -0.01  -0.01  -0.02
    28   1     0.04   0.02  -0.24    -0.05  -0.09  -0.25     0.00  -0.00  -0.01
    29   1     0.43  -0.24  -0.09    -0.06   0.09   0.01     0.01  -0.03  -0.02
    30   1     0.18  -0.24   0.27    -0.09   0.21   0.14    -0.01   0.02   0.04
    31   1     0.12  -0.02  -0.11    -0.30   0.06   0.03    -0.05   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    231.0049               259.1101               286.9122
 Red. masses --      1.4984                 2.4925                 2.7928
 Frc consts  --      0.0471                 0.0986                 0.1355
 IR Inten    --      2.2999                 8.1307                 0.1718
 RamAct Fr= 1--      1.8213                 0.7503                 1.4246
  Dep-P Fr= 1--      0.6971                 0.7444                 0.5599
  Dep-U Fr= 1--      0.8215                 0.8535                 0.7179
 Alpha2 Fr= 1--      0.0017                 0.0001                 0.0051
 Beta2  Fr= 1--      0.2494                 0.1067                 0.1705
 AlphaG Fr= 1--     -0.0035                 0.0006                -0.0067
 Gamma2 Fr= 1--      0.4697                -0.9176                 0.7036
 Delta2 Fr= 1--      0.0086                 0.3102                -0.1552
 Raman1 Fr= 1--       7.285                  3.001                  5.699
 ROA1   Fr= 1--      45.368                -78.162                 62.581
 CID1   Fr= 1--       6.227                -26.045                 10.982
 Raman2 Fr= 1--       2.993                  1.281                  2.045
 ROA2   Fr= 1--      11.205                -24.504                 18.129
 CID2   Fr= 1--       3.744                -19.134                  8.863
 Raman3 Fr= 1--       5.985                  2.561                  4.091
 ROA3   Fr= 1--      45.368                -78.162                 62.581
 CID3   Fr= 1--       7.580                -30.516                 15.297
 RC180  Fr= 1--       0.643                  0.707                  0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08    -0.02  -0.02   0.00     0.00   0.02   0.08
     2   6     0.01   0.01   0.04    -0.04   0.01   0.05    -0.02   0.00  -0.04
     3   6     0.01   0.03   0.08    -0.02  -0.07  -0.05     0.01   0.01   0.14
     4   6     0.01   0.02  -0.00    -0.03  -0.08  -0.04     0.01  -0.02   0.02
     5   6     0.02   0.02  -0.00    -0.07  -0.06  -0.03    -0.02   0.00   0.08
     6   6     0.02   0.01   0.04    -0.07  -0.01   0.02    -0.02   0.02   0.05
     7   6    -0.01  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01   0.01
     8   1     0.00   0.04   0.11    -0.00  -0.08  -0.07     0.02   0.02   0.20
     9   1     0.03   0.02  -0.04    -0.10  -0.09  -0.05    -0.03  -0.01   0.11
    10   1     0.04   0.01   0.04    -0.09   0.00   0.03    -0.03   0.02   0.07
    11   6     0.01   0.00  -0.03    -0.01  -0.04   0.02     0.02  -0.04  -0.04
    12   6     0.04  -0.03  -0.03     0.14   0.12   0.09     0.17   0.07   0.02
    13   6    -0.01  -0.01  -0.02     0.00  -0.02   0.01    -0.00  -0.04  -0.04
    14   1    -0.01  -0.00  -0.02     0.01  -0.04  -0.02     0.01  -0.05  -0.07
    15   1     0.14   0.01  -0.02     0.03   0.09   0.11     0.15   0.07   0.04
    16   1     0.04  -0.14  -0.02     0.15   0.32   0.26     0.18   0.17   0.20
    17   1    -0.03   0.02  -0.04     0.37   0.10  -0.04     0.34   0.08  -0.10
    18   8    -0.01   0.01   0.02    -0.01  -0.03  -0.09    -0.03  -0.01  -0.06
    19   8    -0.05  -0.03  -0.04     0.08   0.06   0.03    -0.03  -0.01  -0.07
    20   1    -0.05  -0.03  -0.07     0.09   0.04   0.12    -0.02  -0.05  -0.08
    21   6    -0.01  -0.03  -0.07    -0.00   0.04   0.01    -0.02  -0.00  -0.09
    22   6    -0.00  -0.02  -0.04    -0.03   0.05  -0.00    -0.03   0.01  -0.06
    23   6     0.00  -0.02  -0.02    -0.04   0.05   0.05    -0.03  -0.01  -0.15
    24   8     0.00   0.00   0.03    -0.03   0.00  -0.06    -0.02   0.02   0.14
    25   6    -0.04   0.02  -0.01     0.08  -0.06   0.00    -0.00  -0.02   0.01
    26   1    -0.02  -0.00  -0.01     0.03  -0.01   0.01    -0.01   0.01   0.03
    27   1    -0.02  -0.05  -0.14     0.03   0.06   0.01    -0.01  -0.00  -0.13
    28   1     0.01  -0.03  -0.06    -0.06   0.06   0.03    -0.03  -0.01  -0.16
    29   1     0.29  -0.30  -0.25     0.39  -0.20  -0.15    -0.30   0.13   0.16
    30   1     0.01   0.15   0.51     0.07  -0.09   0.38    -0.04  -0.12  -0.40
    31   1    -0.45   0.24  -0.29    -0.15   0.07  -0.16     0.35  -0.10   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.7930               358.9141               400.9435
 Red. masses --      4.5733                 5.4237                 5.1285
 Frc consts  --      0.2966                 0.4117                 0.4857
 IR Inten    --      4.6755                 4.2088                 0.5973
 RamAct Fr= 1--      0.7147                13.9567                 1.0027
  Dep-P Fr= 1--      0.1715                 0.1622                 0.4571
  Dep-U Fr= 1--      0.2928                 0.2792                 0.6274
 Alpha2 Fr= 1--      0.0105                 0.2091                 0.0060
 Beta2  Fr= 1--      0.0349                 0.6494                 0.1048
 AlphaG Fr= 1--      0.0303                -0.0778                 0.0277
 Gamma2 Fr= 1--      1.0915                -3.1847                -1.8182
 Delta2 Fr= 1--      0.1941                -0.3162                -0.2509
 Raman1 Fr= 1--       2.859                 55.827                  4.011
 ROA1   Fr= 1--     111.001               -315.849               -182.572
 CID1   Fr= 1--      38.826                 -5.658                -45.521
 Raman2 Fr= 1--       0.419                  7.792                  1.258
 ROA2   Fr= 1--      24.644                -73.903                -41.629
 CID2   Fr= 1--      58.887                 -9.484                -33.089
 Raman3 Fr= 1--       0.837                 15.584                  2.516
 ROA3   Fr= 1--     111.001               -315.849               -182.572
 CID3   Fr= 1--     132.617                -20.267                -72.559
 RC180  Fr= 1--      -0.414                 -0.442                  0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12   0.05    -0.09  -0.07   0.06    -0.05  -0.06  -0.11
     2   6    -0.12  -0.10   0.03    -0.01  -0.13   0.04    -0.03  -0.07  -0.08
     3   6    -0.10  -0.08   0.03    -0.15   0.10  -0.02    -0.04   0.07   0.18
     4   6    -0.01  -0.02  -0.01    -0.11   0.15  -0.08     0.01   0.11   0.20
     5   6    -0.03  -0.03   0.01     0.04   0.10  -0.04     0.03   0.08   0.11
     6   6    -0.05  -0.08   0.03     0.07  -0.07   0.06     0.02  -0.04  -0.12
     7   6     0.00  -0.07   0.02     0.00  -0.04   0.04    -0.03  -0.06  -0.19
     8   1    -0.17  -0.04   0.03    -0.25   0.16  -0.02    -0.10   0.12   0.26
     9   1    -0.03  -0.04   0.01     0.18   0.18  -0.07     0.07   0.11   0.12
    10   1     0.01  -0.11   0.05     0.17  -0.12   0.10     0.07  -0.09  -0.22
    11   6     0.04   0.12  -0.07    -0.18   0.12  -0.01     0.01  -0.01   0.02
    12   6     0.03  -0.07  -0.12     0.02  -0.01   0.04     0.07   0.03   0.06
    13   6     0.08   0.12  -0.02    -0.14   0.01   0.01     0.03  -0.05  -0.06
    14   1     0.09   0.16  -0.01    -0.26   0.11   0.05    -0.05  -0.04   0.01
    15   1     0.21  -0.05  -0.23     0.08  -0.05  -0.13     0.07   0.04   0.08
    16   1     0.03  -0.29  -0.15     0.03  -0.03   0.22     0.08   0.10   0.19
    17   1    -0.12  -0.08  -0.02     0.12  -0.09   0.07     0.19   0.04  -0.02
    18   8     0.14   0.11   0.17    -0.09  -0.15  -0.10     0.01   0.00  -0.07
    19   8     0.03  -0.05  -0.03     0.03   0.01   0.10    -0.10  -0.09  -0.15
    20   1     0.01  -0.00  -0.15    -0.03   0.13   0.19    -0.07  -0.15  -0.27
    21   6     0.00   0.06  -0.03     0.04  -0.04  -0.03     0.00   0.03   0.16
    22   6    -0.05   0.10  -0.03     0.12  -0.05  -0.04     0.02   0.03   0.17
    23   6    -0.13   0.03  -0.02     0.01  -0.12  -0.03    -0.02  -0.01   0.12
    24   8    -0.05   0.10   0.00     0.16   0.08   0.01     0.01   0.03  -0.13
    25   6     0.17  -0.04  -0.00     0.18   0.10  -0.03     0.07   0.02  -0.02
    26   1     0.11  -0.12   0.04     0.08  -0.08   0.06    -0.02  -0.11  -0.35
    27   1     0.07   0.11  -0.05    -0.02  -0.08  -0.03     0.00   0.03   0.21
    28   1    -0.21   0.08  -0.03    -0.05  -0.09  -0.04    -0.05  -0.01   0.07
    29   1     0.28   0.01  -0.01     0.15   0.10  -0.01     0.22   0.05  -0.05
    30   1     0.11  -0.27   0.00     0.17   0.06  -0.08     0.06  -0.02   0.12
    31   1     0.33   0.00  -0.01     0.25   0.10  -0.02    -0.00   0.01  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.5702               465.6080               481.8818
 Red. masses --      3.2747                 4.0224                 4.9630
 Frc consts  --      0.3316                 0.5138                 0.6790
 IR Inten    --      0.3533                21.5460                 4.0466
 RamAct Fr= 1--      4.4486                 0.7525                 3.9444
  Dep-P Fr= 1--      0.7489                 0.5136                 0.1714
  Dep-U Fr= 1--      0.8564                 0.6787                 0.2926
 Alpha2 Fr= 1--      0.0001                 0.0035                 0.0577
 Beta2  Fr= 1--      0.6350                 0.0851                 0.1923
 AlphaG Fr= 1--      0.0077                 0.0316                 0.0228
 Gamma2 Fr= 1--      0.4975                -0.8388                 0.9400
 Delta2 Fr= 1--     -0.4591                -0.1124                -0.2190
 Raman1 Fr= 1--      17.794                  3.010                 15.778
 ROA1   Fr= 1--      33.073                -84.124                 83.228
 CID1   Fr= 1--       1.859                -27.947                  5.275
 Raman2 Fr= 1--       7.620                  1.021                  2.308
 ROA2   Fr= 1--      15.614                -19.232                 24.311
 CID2   Fr= 1--       2.049                -18.828                 10.533
 Raman3 Fr= 1--      15.240                  2.043                  4.616
 ROA3   Fr= 1--      33.073                -84.124                 83.228
 CID3   Fr= 1--       2.170                -41.178                 18.029
 RC180  Fr= 1--       0.713                  0.357                 -0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.06    -0.00   0.08  -0.01    -0.06   0.09  -0.01
     2   6     0.01   0.02   0.05     0.03   0.05  -0.06    -0.04   0.08   0.05
     3   6     0.02   0.01   0.13    -0.03  -0.06   0.07    -0.06   0.00  -0.06
     4   6    -0.01  -0.03  -0.06    -0.10  -0.10   0.06    -0.07  -0.03   0.00
     5   6    -0.02  -0.05  -0.17    -0.10  -0.12   0.12    -0.15  -0.01  -0.07
     6   6     0.01   0.04   0.21    -0.11  -0.02  -0.06    -0.13   0.08   0.06
     7   6    -0.01  -0.03  -0.20     0.01   0.09  -0.05    -0.07   0.08   0.01
     8   1     0.05   0.04   0.35     0.09  -0.13   0.05    -0.02  -0.02  -0.07
     9   1    -0.04  -0.08  -0.33    -0.13  -0.13   0.20    -0.22  -0.07  -0.14
    10   1     0.01   0.09   0.41    -0.26   0.05  -0.11    -0.21   0.12   0.06
    11   6    -0.01   0.01  -0.02    -0.11   0.16  -0.09     0.01  -0.09   0.07
    12   6    -0.01  -0.01  -0.03     0.09   0.00  -0.10    -0.03   0.01   0.12
    13   6    -0.02   0.01   0.02    -0.08   0.13  -0.05     0.14  -0.01  -0.03
    14   1     0.01   0.02  -0.01     0.04   0.23  -0.03    -0.05  -0.10   0.07
    15   1    -0.01  -0.02  -0.04     0.29  -0.00  -0.30    -0.08   0.05   0.26
    16   1    -0.01  -0.03  -0.05     0.10  -0.15   0.13    -0.03   0.09   0.10
    17   1    -0.04  -0.02  -0.00     0.14  -0.05  -0.07    -0.01   0.09   0.01
    18   8    -0.00  -0.01   0.02     0.03  -0.03   0.04     0.10   0.12   0.06
    19   8     0.03   0.03   0.04     0.06  -0.04   0.05    -0.01  -0.03  -0.14
    20   1     0.03   0.03   0.09    -0.11   0.29  -0.05     0.11  -0.25  -0.21
    21   6     0.01   0.03   0.16     0.02   0.02   0.01    -0.04  -0.12   0.02
    22   6     0.00   0.01   0.05     0.10  -0.03   0.06     0.08  -0.16  -0.02
    23   6    -0.00  -0.02  -0.14     0.08  -0.00   0.03     0.00  -0.17  -0.01
    24   8    -0.00  -0.02  -0.02     0.11  -0.11  -0.02     0.16   0.02   0.01
    25   6    -0.02  -0.01   0.00    -0.06   0.01   0.00     0.12   0.11  -0.03
    26   1    -0.03  -0.06  -0.38    -0.01   0.09  -0.11    -0.16   0.14   0.04
    27   1     0.02   0.05   0.27    -0.06  -0.04  -0.01    -0.22  -0.24   0.09
    28   1    -0.01  -0.06  -0.35     0.09  -0.01   0.02     0.09  -0.21  -0.02
    29   1    -0.04   0.03   0.03    -0.16  -0.03   0.01     0.08   0.09  -0.02
    30   1    -0.02   0.00  -0.03     0.00   0.21  -0.01     0.13   0.13  -0.06
    31   1    -0.01  -0.04   0.04    -0.20  -0.04   0.01     0.12   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    486.1414               509.7037               533.8700
 Red. masses --      2.5453                 3.9595                 3.2844
 Frc consts  --      0.3544                 0.6061                 0.5515
 IR Inten    --     15.4270                13.0543                 9.8064
 RamAct Fr= 1--      0.1510                 4.3561                 3.3414
  Dep-P Fr= 1--      0.6476                 0.6586                 0.7000
  Dep-U Fr= 1--      0.7861                 0.7942                 0.8235
 Alpha2 Fr= 1--      0.0003                 0.0071                 0.0029
 Beta2  Fr= 1--      0.0198                 0.5766                 0.4586
 AlphaG Fr= 1--      0.0014                 0.0431                 0.0521
 Gamma2 Fr= 1--     -0.4043                 0.1778                -1.8719
 Delta2 Fr= 1--      0.0246                 0.8507                -0.0772
 Raman1 Fr= 1--       0.604                 17.424                 13.366
 ROA1   Fr= 1--     -38.025                 44.296               -182.173
 CID1   Fr= 1--     -62.946                  2.542                -13.630
 Raman2 Fr= 1--       0.237                  6.919                  5.503
 ROA2   Fr= 1--      -9.900                 -2.538                -44.308
 CID2   Fr= 1--     -41.694                 -0.367                 -8.051
 Raman3 Fr= 1--       0.475                 13.838                 11.007
 ROA3   Fr= 1--     -38.025                 44.296               -182.173
 CID3   Fr= 1--     -80.070                  3.201                -16.551
 RC180  Fr= 1--       0.572                  0.588                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.21    -0.03  -0.04  -0.02     0.03  -0.08   0.02
     2   6     0.01   0.03   0.18     0.04  -0.04   0.07    -0.07  -0.03   0.01
     3   6    -0.01  -0.02  -0.11    -0.05  -0.01  -0.06    -0.01   0.08  -0.01
     4   6     0.01   0.01   0.03    -0.04   0.02   0.03    -0.04   0.09  -0.02
     5   6     0.01   0.01   0.05     0.03  -0.05  -0.09    -0.13   0.14   0.00
     6   6     0.00  -0.02  -0.10     0.05  -0.07   0.08    -0.12  -0.00  -0.00
     7   6    -0.01  -0.02  -0.10     0.04   0.02   0.02     0.16  -0.06  -0.01
     8   1    -0.03  -0.08  -0.44    -0.07  -0.01  -0.08    -0.11   0.13   0.01
     9   1     0.01   0.00  -0.03     0.09  -0.03  -0.20    -0.11   0.15   0.00
    10   1    -0.01  -0.08  -0.41     0.06  -0.08   0.09    -0.06  -0.04  -0.02
    11   6     0.00  -0.00   0.00    -0.05   0.09   0.12    -0.03  -0.04  -0.03
    12   6    -0.00  -0.00   0.01    -0.05   0.01   0.20     0.00  -0.00  -0.03
    13   6     0.00  -0.00   0.00     0.02   0.10  -0.06     0.04  -0.05   0.01
    14   1    -0.00  -0.01   0.00    -0.03   0.14   0.25    -0.13  -0.09  -0.09
    15   1     0.00   0.00   0.01    -0.02   0.02   0.20     0.00   0.00  -0.02
    16   1    -0.00   0.00   0.00    -0.05   0.01   0.24     0.01   0.02   0.01
    17   1    -0.00   0.00   0.00    -0.04   0.03   0.18     0.04   0.00  -0.06
    18   8    -0.00   0.00  -0.00     0.08   0.00  -0.06     0.00   0.03   0.05
    19   8    -0.00  -0.01   0.00    -0.05  -0.15  -0.10     0.00   0.07  -0.03
    20   1    -0.03   0.06  -0.02    -0.19   0.13  -0.44     0.30  -0.51   0.25
    21   6     0.00   0.01   0.05     0.03   0.14  -0.03     0.16   0.02  -0.01
    22   6     0.00   0.02   0.07     0.04   0.08  -0.09     0.06   0.04   0.00
    23   6    -0.01  -0.02  -0.12     0.04   0.09  -0.05    -0.03   0.02   0.00
    24   8    -0.01   0.00  -0.01     0.02  -0.10   0.04     0.06  -0.12   0.01
    25   6    -0.00  -0.00   0.00    -0.10  -0.06   0.02    -0.09  -0.07   0.02
    26   1    -0.03  -0.09  -0.45     0.16  -0.02   0.10     0.26  -0.12  -0.03
    27   1    -0.00  -0.01  -0.12     0.09   0.19   0.03     0.25   0.07  -0.05
    28   1    -0.04  -0.08  -0.49    -0.07   0.15  -0.03    -0.11   0.05  -0.02
    29   1    -0.01   0.03   0.02    -0.22  -0.09   0.04    -0.20  -0.10   0.04
    30   1    -0.01  -0.02  -0.04    -0.06   0.10  -0.03    -0.04   0.12  -0.02
    31   1     0.02  -0.02   0.03    -0.18  -0.08   0.03    -0.21  -0.10   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    540.3178               578.2447               604.1917
 Red. masses --      2.9527                 1.7093                 2.7736
 Frc consts  --      0.5079                 0.3367                 0.5965
 IR Inten    --     11.6925                42.3043                 2.1626
 RamAct Fr= 1--     19.2478                 1.9315                 3.5527
  Dep-P Fr= 1--      0.2249                 0.2853                 0.5116
  Dep-U Fr= 1--      0.3672                 0.4439                 0.6769
 Alpha2 Fr= 1--      0.2445                 0.0207                 0.0166
 Beta2  Fr= 1--      1.1779                 0.1429                 0.4008
 AlphaG Fr= 1--     -0.5825                 0.2346                -0.0263
 Gamma2 Fr= 1--      2.5433                 1.7084                -0.3472
 Delta2 Fr= 1--      0.4170                 0.2616                 0.1178
 Raman1 Fr= 1--      76.991                  7.726                 14.211
 ROA1   Fr= 1--     257.501                172.377                -29.564
 CID1   Fr= 1--       3.345                 22.312                 -2.080
 Raman2 Fr= 1--      14.135                  1.715                  4.809
 ROA2   Fr= 1--      57.704                 38.908                 -9.276
 CID2   Fr= 1--       4.082                 22.689                 -1.929
 Raman3 Fr= 1--      28.270                  3.430                  9.619
 ROA3   Fr= 1--     257.501                172.377                -29.564
 CID3   Fr= 1--       9.109                 50.260                 -3.073
 RC180  Fr= 1--      -0.266                 -0.112                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.03  -0.01    -0.05  -0.01   0.01     0.02   0.02   0.09
     2   6    -0.05   0.06  -0.00    -0.03  -0.04  -0.02     0.01  -0.03  -0.16
     3   6     0.10   0.03  -0.01    -0.04   0.02   0.02     0.01   0.01   0.00
     4   6     0.03   0.02  -0.00     0.00   0.02  -0.04    -0.03  -0.03  -0.19
     5   6    -0.09   0.08  -0.02    -0.01   0.03  -0.00     0.01  -0.01   0.01
     6   6    -0.09   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.01  -0.00
     7   6     0.12  -0.09   0.01    -0.02   0.02  -0.00     0.00  -0.00   0.06
     8   1     0.08   0.04  -0.03    -0.08   0.04   0.02     0.04   0.04   0.21
     9   1    -0.15   0.05  -0.01     0.01   0.06   0.06     0.05   0.07   0.38
    10   1    -0.08   0.09   0.02     0.04  -0.03   0.06     0.02   0.06   0.36
    11   6     0.00   0.06   0.03     0.04  -0.12  -0.02    -0.02   0.00   0.03
    12   6    -0.01   0.01   0.03     0.00  -0.01  -0.03    -0.04  -0.00   0.09
    13   6    -0.04   0.08  -0.02     0.05  -0.08   0.03     0.00   0.05  -0.02
    14   1     0.06   0.10   0.11    -0.05  -0.16  -0.06    -0.03   0.02   0.11
    15   1     0.01   0.01   0.01    -0.07   0.01   0.09    -0.08   0.00   0.14
    16   1    -0.01  -0.01   0.03     0.00   0.06  -0.09    -0.05   0.02   0.04
    17   1    -0.02  -0.00   0.06     0.01   0.04  -0.09    -0.07   0.02   0.07
    18   8     0.01  -0.02  -0.05    -0.04   0.06   0.03     0.04   0.01   0.01
    19   8     0.00  -0.09   0.03     0.05  -0.00   0.03     0.01  -0.02  -0.03
    20   1    -0.37   0.64  -0.33    -0.36   0.80  -0.24     0.06  -0.12  -0.02
    21   6     0.12  -0.15   0.02    -0.02   0.06  -0.01    -0.01  -0.02  -0.05
    22   6    -0.06  -0.05   0.00     0.04   0.03   0.02     0.01   0.04   0.24
    23   6    -0.06  -0.05   0.01    -0.01   0.00   0.00     0.01   0.00  -0.02
    24   8    -0.07   0.05  -0.00     0.06  -0.05  -0.00    -0.02   0.00  -0.05
    25   6     0.01  -0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.06  -0.06   0.03     0.03  -0.01  -0.03    -0.03  -0.05  -0.25
    27   1     0.19  -0.10   0.02    -0.04   0.04  -0.05    -0.03  -0.10  -0.53
    28   1     0.04  -0.10   0.03    -0.07   0.04  -0.01     0.01  -0.05  -0.26
    29   1     0.08   0.00  -0.01    -0.06  -0.02   0.01     0.04   0.03  -0.00
    30   1    -0.02  -0.13   0.02     0.02   0.09  -0.01    -0.01  -0.02   0.02
    31   1     0.08   0.01  -0.01    -0.07  -0.02   0.01    -0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.0611               688.6525               694.7396
 Red. masses --      5.3781                 5.2760                 3.7411
 Frc consts  --      1.2820                 1.4742                 1.0639
 IR Inten    --      2.4628                 4.1390                10.8455
 RamAct Fr= 1--      0.9316                 2.6864                 0.2469
  Dep-P Fr= 1--      0.6626                 0.1675                 0.2907
  Dep-U Fr= 1--      0.7971                 0.2869                 0.4505
 Alpha2 Fr= 1--      0.0015                 0.0397                 0.0026
 Beta2  Fr= 1--      0.1238                 0.1285                 0.0185
 AlphaG Fr= 1--      0.0210                -0.1495                -0.0144
 Gamma2 Fr= 1--      0.6435                -1.1499                -0.0283
 Delta2 Fr= 1--      0.2343                -0.1232                 0.0767
 Raman1 Fr= 1--       3.727                 10.745                  0.987
 ROA1   Fr= 1--      69.276               -114.335                 -0.267
 CID1   Fr= 1--      18.590                -10.640                 -0.270
 Raman2 Fr= 1--       1.485                  1.542                  0.222
 ROA2   Fr= 1--      13.571                -26.612                 -1.294
 CID2   Fr= 1--       9.137                -17.262                 -5.817
 Raman3 Fr= 1--       2.970                  3.083                  0.445
 ROA3   Fr= 1--      69.276               -114.335                 -0.267
 CID3   Fr= 1--      23.322                -37.082                 -0.600
 RC180  Fr= 1--       0.594                 -0.426                 -0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01   0.02    -0.06   0.05   0.06    -0.03   0.01  -0.11
     2   6    -0.18   0.03  -0.01    -0.05   0.04   0.02    -0.01   0.01  -0.03
     3   6    -0.10  -0.17   0.02    -0.09  -0.09   0.08    -0.06  -0.05  -0.05
     4   6     0.15  -0.05  -0.01    -0.03  -0.06  -0.16    -0.01   0.03   0.25
     5   6     0.06   0.06  -0.03     0.16  -0.01   0.06     0.06  -0.04  -0.08
     6   6     0.03   0.21  -0.03     0.14   0.12  -0.11     0.08   0.07   0.09
     7   6     0.04   0.13  -0.00     0.13   0.14  -0.13     0.09   0.10   0.10
     8   1    -0.18  -0.12   0.06    -0.08  -0.08   0.17    -0.05  -0.10  -0.24
     9   1    -0.13  -0.05   0.05     0.14   0.01   0.28     0.04  -0.11  -0.46
    10   1     0.11   0.18   0.03     0.17   0.12  -0.07     0.07   0.05  -0.01
    11   6     0.20   0.08   0.06    -0.12  -0.06  -0.03    -0.08  -0.00  -0.03
    12   6     0.03   0.01  -0.03    -0.06  -0.02   0.11     0.00   0.00  -0.03
    13   6    -0.00   0.05   0.08    -0.07   0.00  -0.11    -0.01  -0.07  -0.03
    14   1     0.29   0.11   0.08    -0.15  -0.04   0.06    -0.10  -0.03  -0.11
    15   1    -0.10  -0.05  -0.06    -0.02   0.03   0.21     0.13   0.02  -0.10
    16   1     0.01  -0.02  -0.34    -0.05   0.02   0.24     0.02  -0.03   0.20
    17   1    -0.17  -0.07   0.18     0.03   0.07  -0.05     0.13  -0.01  -0.09
    18   8     0.01  -0.08  -0.16    -0.03   0.02   0.14    -0.05   0.02   0.06
    19   8    -0.12  -0.03   0.09     0.12   0.01  -0.10     0.05   0.02  -0.05
    20   1    -0.01  -0.25  -0.03     0.08   0.10   0.14    -0.00   0.13   0.06
    21   6     0.05   0.06  -0.03     0.15  -0.00   0.06     0.07  -0.03  -0.10
    22   6     0.06  -0.00   0.05    -0.02  -0.06  -0.14     0.00   0.02   0.20
    23   6    -0.16  -0.10   0.02    -0.10  -0.09   0.07    -0.04  -0.06  -0.05
    24   8     0.10  -0.09  -0.00    -0.07   0.04   0.02    -0.05   0.02  -0.03
    25   6     0.00  -0.02   0.00    -0.04  -0.05   0.01    -0.02  -0.03   0.00
    26   1     0.10   0.09  -0.06     0.16   0.13  -0.10     0.09   0.10   0.09
    27   1    -0.05  -0.02  -0.12     0.12   0.02   0.31     0.03  -0.10  -0.40
    28   1    -0.24  -0.07  -0.05    -0.06  -0.07   0.26    -0.03  -0.12  -0.30
    29   1    -0.09  -0.04   0.02     0.01  -0.05   0.00     0.03   0.00   0.00
    30   1     0.04   0.14  -0.03    -0.06  -0.13   0.03    -0.04  -0.09   0.02
    31   1    -0.10  -0.05   0.01     0.03  -0.02  -0.00     0.01  -0.03   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    739.1923               778.3293               785.0927
 Red. masses --      5.4954                 3.5966                 2.7592
 Frc consts  --      1.7691                 1.2837                 1.0020
 IR Inten    --      5.1013                 0.8418                 0.3794
 RamAct Fr= 1--     21.1993                44.4361                17.5302
  Dep-P Fr= 1--      0.0543                 0.0792                 0.0889
  Dep-U Fr= 1--      0.1030                 0.1468                 0.1633
 Alpha2 Fr= 1--      0.4145                 0.8183                 0.3154
 Beta2  Fr= 1--      0.3639                 1.0872                 0.4770
 AlphaG Fr= 1--     -0.2501                 0.2862                -0.2534
 Gamma2 Fr= 1--     -3.0958                 3.2227                -0.3999
 Delta2 Fr= 1--     -0.1066                 0.9176                 0.1052
 Raman1 Fr= 1--      84.797                177.744                 70.121
 ROA1   Fr= 1--    -300.606                338.743                -35.026
 CID1   Fr= 1--      -3.545                  1.906                 -0.500
 Raman2 Fr= 1--       4.367                 13.047                  5.724
 ROA2   Fr= 1--     -73.446                 70.005                -10.439
 CID2   Fr= 1--     -16.820                  5.366                 -1.824
 Raman3 Fr= 1--       8.733                 26.093                 11.447
 ROA3   Fr= 1--    -300.606                338.743                -35.026
 CID3   Fr= 1--     -34.421                 12.982                 -3.060
 RC180  Fr= 1--      -0.794                 -0.706                 -0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.10   0.03    -0.01  -0.05   0.15     0.03   0.07   0.17
     2   6     0.05  -0.03  -0.01     0.01   0.07  -0.15    -0.03  -0.09  -0.18
     3   6    -0.06   0.06  -0.01    -0.07  -0.11  -0.00     0.05   0.05  -0.05
     4   6    -0.12   0.01  -0.05    -0.01  -0.01   0.06     0.03   0.03   0.11
     5   6     0.01  -0.11   0.01     0.03  -0.02  -0.07    -0.02  -0.00  -0.07
     6   6    -0.00  -0.15   0.01     0.05   0.19  -0.01    -0.02  -0.09   0.09
     7   6     0.13   0.19  -0.07    -0.04  -0.19   0.01     0.01   0.09  -0.04
     8   1     0.01   0.03   0.04    -0.11  -0.14  -0.21     0.04  -0.02  -0.39
     9   1     0.14  -0.00   0.15    -0.08  -0.06   0.07     0.03   0.02  -0.12
    10   1    -0.06  -0.09   0.14    -0.01   0.28   0.20     0.03  -0.09   0.20
    11   6    -0.05   0.08   0.00    -0.09   0.08  -0.02     0.05  -0.03   0.01
    12   6     0.01   0.01  -0.05    -0.03   0.01   0.02     0.02  -0.00  -0.02
    13   6     0.24  -0.13   0.20     0.09  -0.12   0.06    -0.06   0.05  -0.04
    14   1    -0.23  -0.08  -0.28    -0.17  -0.02  -0.23     0.12   0.02   0.10
    15   1     0.08  -0.05  -0.28     0.13  -0.02  -0.23    -0.03   0.01   0.07
    16   1     0.01  -0.09   0.01    -0.02  -0.11   0.23     0.02   0.05  -0.09
    17   1     0.02  -0.12   0.09     0.06  -0.10   0.10    -0.01   0.04  -0.05
    18   8     0.06   0.09  -0.15    -0.01   0.04  -0.02    -0.01  -0.03   0.02
    19   8    -0.14   0.01   0.10    -0.02   0.02  -0.02     0.02  -0.01  -0.01
    20   1    -0.13  -0.02  -0.33    -0.02   0.03  -0.07     0.03  -0.03   0.08
    21   6     0.13  -0.03   0.02    -0.01  -0.03   0.08     0.01   0.05   0.09
    22   6    -0.01  -0.05  -0.03    -0.02   0.01  -0.06     0.00  -0.02  -0.06
    23   6     0.01  -0.08   0.03     0.07   0.10  -0.02    -0.05  -0.06   0.00
    24   8    -0.12   0.08  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.05  -0.05   0.01     0.02   0.02  -0.00    -0.01  -0.01   0.00
    26   1     0.10   0.19  -0.11    -0.02  -0.26  -0.22    -0.03   0.04  -0.38
    27   1     0.05  -0.07   0.06     0.11   0.02  -0.09    -0.08  -0.04  -0.16
    28   1     0.08  -0.10   0.10     0.16   0.14   0.36    -0.04   0.08   0.61
    29   1     0.05  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
    30   1    -0.10  -0.22   0.05     0.03   0.08  -0.00    -0.01  -0.02   0.03
    31   1     0.06  -0.01  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.4058               833.7445               840.2338
 Red. masses --      1.4953                 1.6597                 2.6882
 Frc consts  --      0.5930                 0.6797                 1.1182
 IR Inten    --      9.0106                12.6070                11.6499
 RamAct Fr= 1--      1.1532                 0.3163                 2.6710
  Dep-P Fr= 1--      0.3351                 0.7406                 0.7431
  Dep-U Fr= 1--      0.5020                 0.8510                 0.8526
 Alpha2 Fr= 1--      0.0106                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0965                 0.0449                 0.3796
 AlphaG Fr= 1--     -0.0625                -0.0071                 0.0007
 Gamma2 Fr= 1--     -0.3537                 0.5908                 1.2577
 Delta2 Fr= 1--     -0.2251                -0.0713                 0.8971
 Raman1 Fr= 1--       4.613                  1.265                 10.684
 ROA1   Fr= 1--     -41.162                 54.432                149.446
 CID1   Fr= 1--      -8.923                 43.026                 13.988
 Raman2 Fr= 1--       1.158                  0.538                  4.555
 ROA2   Fr= 1--      -6.689                 14.749                 23.009
 CID2   Fr= 1--      -5.778                 27.400                  5.052
 Raman3 Fr= 1--       2.316                  1.077                  9.110
 ROA3   Fr= 1--     -41.162                 54.432                149.446
 CID3   Fr= 1--     -17.776                 50.562                 16.405
 RC180  Fr= 1--       0.004                  0.702                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.00   0.01   0.10     0.05   0.02   0.02
     2   6    -0.01  -0.01   0.03     0.01  -0.01  -0.07    -0.05  -0.03  -0.01
     3   6     0.03   0.01  -0.02    -0.02   0.00   0.03     0.11   0.02   0.00
     4   6     0.02   0.01   0.08    -0.01   0.00  -0.00     0.04  -0.02  -0.08
     5   6    -0.01  -0.02  -0.09     0.00   0.00  -0.02    -0.00  -0.01   0.04
     6   6    -0.02  -0.04  -0.08     0.01   0.02   0.02    -0.03  -0.04   0.05
     7   6    -0.01   0.01  -0.02    -0.00  -0.03  -0.10    -0.02   0.02  -0.04
     8   1     0.04  -0.01  -0.09    -0.06  -0.07  -0.37     0.18  -0.02  -0.02
     9   1     0.03   0.09   0.50     0.00  -0.00  -0.05    -0.02  -0.05  -0.17
    10   1     0.05   0.08   0.62     0.00   0.02   0.01    -0.01  -0.12  -0.29
    11   6     0.02   0.04   0.02    -0.01  -0.05  -0.01     0.02   0.17   0.01
    12   6     0.00   0.01  -0.00    -0.00  -0.01  -0.01    -0.02   0.05   0.09
    13   6    -0.01  -0.04  -0.01    -0.00   0.05  -0.00     0.02  -0.15   0.02
    14   1     0.05   0.03  -0.05    -0.02  -0.03   0.05     0.05   0.10  -0.21
    15   1     0.03  -0.01  -0.10    -0.02   0.02   0.09     0.05  -0.08  -0.31
    16   1     0.00  -0.04   0.01     0.00   0.05   0.00    -0.03  -0.18   0.04
    17   1    -0.01  -0.05   0.08     0.03   0.05  -0.11    -0.14  -0.21   0.46
    18   8    -0.04  -0.01   0.02     0.03   0.00  -0.01    -0.08   0.00   0.03
    19   8     0.02   0.00  -0.04    -0.02  -0.00   0.03     0.05   0.02  -0.10
    20   1     0.01   0.02   0.04     0.00  -0.05  -0.02     0.01   0.11   0.03
    21   6    -0.01   0.01  -0.02    -0.00  -0.02  -0.10    -0.04   0.02  -0.04
    22   6    -0.00  -0.01  -0.04     0.01   0.02   0.10    -0.00   0.02   0.07
    23   6    -0.02   0.00   0.07     0.02   0.00  -0.01    -0.09  -0.04  -0.04
    24   8     0.01  -0.00   0.01    -0.01   0.00  -0.02     0.03  -0.03  -0.01
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
    26   1    -0.01   0.04   0.09     0.05   0.09   0.59    -0.05   0.10   0.23
    27   1    -0.01   0.03   0.17     0.06   0.11   0.62    -0.05   0.05   0.22
    28   1    -0.07  -0.08  -0.45     0.03  -0.00  -0.00    -0.14   0.05   0.25
    29   1    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
    30   1     0.00   0.01  -0.02    -0.01  -0.01   0.01     0.03   0.06  -0.00
    31   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.1396               881.1327               927.3481
 Red. masses --      3.1796                 1.8218                 1.5404
 Frc consts  --      1.4054                 0.8334                 0.7805
 IR Inten    --      5.7850                37.4327                10.5803
 RamAct Fr= 1--     27.2772                 2.3616                 1.1429
  Dep-P Fr= 1--      0.1106                 0.6309                 0.3079
  Dep-U Fr= 1--      0.1992                 0.7737                 0.4708
 Alpha2 Fr= 1--      0.4653                 0.0051                 0.0114
 Beta2  Fr= 1--      0.9056                 0.3045                 0.0897
 AlphaG Fr= 1--      0.2430                 0.1038                 0.0785
 Gamma2 Fr= 1--      0.1146                -0.4719                 0.2915
 Delta2 Fr= 1--     -0.9635                -0.2467                 0.0085
 Raman1 Fr= 1--     109.109                  9.446                  4.572
 ROA1   Fr= 1--     -19.829                -53.200                 28.258
 CID1   Fr= 1--      -0.182                 -5.632                  6.181
 Raman2 Fr= 1--      10.867                  3.654                  1.076
 ROA2   Fr= 1--      10.459                 -9.352                  6.928
 CID2   Fr= 1--       0.963                 -2.559                  6.437
 Raman3 Fr= 1--      21.733                  7.308                  2.152
 ROA3   Fr= 1--     -19.829                -53.200                 28.258
 CID3   Fr= 1--      -0.912                 -7.279                 13.129
 RC180  Fr= 1--      -0.602                  0.547                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.08
     2   6     0.09   0.03  -0.01     0.01   0.02   0.14    -0.01  -0.00  -0.03
     3   6    -0.18  -0.04   0.01     0.01   0.00  -0.00    -0.01  -0.02  -0.17
     4   6    -0.01   0.04  -0.01    -0.00   0.00   0.03    -0.00   0.01   0.07
     5   6    -0.06   0.01   0.00    -0.00  -0.01  -0.06     0.01  -0.02  -0.01
     6   6    -0.05  -0.03   0.01     0.00  -0.01  -0.07     0.01   0.01   0.03
     7   6     0.03   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.01  -0.01
     8   1    -0.34   0.05   0.07     0.01   0.01   0.07     0.06   0.17   0.88
     9   1    -0.07   0.01   0.03     0.04   0.08   0.44     0.01  -0.01   0.03
    10   1    -0.17   0.03  -0.03     0.03   0.05   0.25    -0.01  -0.01  -0.12
    11   6     0.17   0.06   0.07    -0.01  -0.01   0.00    -0.01  -0.00   0.02
    12   6     0.08   0.02   0.00    -0.00  -0.00  -0.02     0.01  -0.00  -0.03
    13   6    -0.05  -0.06  -0.02    -0.00   0.01  -0.00    -0.00  -0.00  -0.01
    14   1     0.15   0.08   0.16    -0.01  -0.01   0.00    -0.00   0.01   0.05
    15   1    -0.18  -0.06   0.03     0.02   0.01   0.00     0.01   0.01   0.00
    16   1     0.05   0.04  -0.49     0.00   0.01   0.03     0.01   0.01   0.01
    17   1    -0.23  -0.04   0.27     0.03   0.02  -0.06     0.04   0.02  -0.08
    18   8    -0.08  -0.04   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.05  -0.00  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   1     0.02   0.08   0.09     0.00  -0.01  -0.00    -0.01   0.03  -0.00
    21   6     0.05  -0.05  -0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04
    22   6     0.03  -0.03   0.02     0.01   0.02   0.09    -0.00   0.01   0.01
    23   6     0.18   0.04  -0.04    -0.02  -0.03  -0.18    -0.01   0.00   0.01
    24   8    -0.06   0.06  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.00
    25   6    -0.04  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.11  -0.02   0.04     0.00   0.01   0.05    -0.01  -0.02  -0.07
    27   1     0.05  -0.05   0.06     0.00   0.01   0.01     0.04   0.06   0.33
    28   1     0.35  -0.01   0.09     0.04   0.14   0.79    -0.02   0.01   0.01
    29   1     0.04  -0.00  -0.01    -0.00  -0.01  -0.00    -0.00   0.00   0.00
    30   1    -0.08  -0.15   0.04     0.01   0.01   0.03     0.01   0.01  -0.00
    31   1     0.04   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    947.9456               961.4682               969.3010
 Red. masses --      3.5160                 1.3108                 1.3281
 Frc consts  --      1.8615                 0.7139                 0.7352
 IR Inten    --     24.0741                 0.5705                 0.6349
 RamAct Fr= 1--      0.9403                 2.0303                 0.8717
  Dep-P Fr= 1--      0.7499                 0.7296                 0.6852
  Dep-U Fr= 1--      0.8571                 0.8437                 0.8132
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0010
 Beta2  Fr= 1--      0.1343                 0.2855                 0.1182
 AlphaG Fr= 1--      0.0005                 0.0272                -0.0400
 Gamma2 Fr= 1--      1.4586                 0.3448                -0.5903
 Delta2 Fr= 1--     -2.0858                -0.1435                 0.2297
 Raman1 Fr= 1--       3.761                  8.121                  3.487
 ROA1   Fr= 1--      73.281                 28.511                -49.319
 CID1   Fr= 1--      19.484                  3.511                -14.144
 Raman2 Fr= 1--       1.612                  3.426                  1.418
 ROA2   Fr= 1--      51.693                  9.423                -16.004
 CID2   Fr= 1--      32.070                  2.751                -11.288
 Raman3 Fr= 1--       3.224                  6.852                  2.836
 ROA3   Fr= 1--      73.281                 28.511                -49.319
 CID3   Fr= 1--      22.732                  4.161                -17.393
 RC180  Fr= 1--       0.714                  0.687                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.03
     2   6     0.06  -0.06   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     3   6     0.03  -0.17   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.05
     4   6     0.11  -0.03   0.00    -0.00   0.00   0.01     0.00   0.00   0.01
     5   6    -0.11   0.23  -0.04    -0.01  -0.02  -0.11     0.00   0.01   0.03
     6   6    -0.04  -0.00   0.01     0.01   0.02   0.11    -0.00  -0.00  -0.03
     7   6    -0.02   0.06  -0.00    -0.00  -0.01  -0.02    -0.01  -0.02  -0.12
     8   1     0.03  -0.14   0.17    -0.00  -0.01  -0.05     0.02   0.04   0.21
     9   1    -0.19   0.19  -0.00     0.04   0.12   0.68    -0.02  -0.03  -0.15
    10   1     0.16  -0.10  -0.02    -0.04  -0.12  -0.64     0.01   0.03   0.16
    11   6    -0.03  -0.02  -0.07    -0.00  -0.00   0.01    -0.00   0.00   0.00
    12   6    -0.08   0.01   0.05     0.00  -0.00  -0.01     0.00   0.00  -0.00
    13   6     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.08  -0.03  -0.27    -0.00  -0.00  -0.00     0.00   0.00   0.01
    15   1     0.18   0.02  -0.16     0.01   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.06  -0.14   0.44     0.00   0.00   0.01     0.00  -0.00   0.01
    17   1     0.12  -0.08   0.02     0.01   0.00  -0.02     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.01   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    21   6    -0.07   0.15  -0.03     0.00   0.01   0.03     0.00   0.02   0.10
    22   6     0.07  -0.05   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    23   6     0.13  -0.11   0.01     0.00   0.00   0.02     0.00  -0.01  -0.01
    24   8    -0.06   0.08  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.06  -0.04   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.14  -0.03  -0.05     0.01   0.03   0.16     0.06   0.12   0.70
    27   1    -0.20   0.08   0.07    -0.01  -0.03  -0.19    -0.04  -0.10  -0.59
    28   1     0.27  -0.18   0.02    -0.01  -0.02  -0.07     0.01  -0.01   0.02
    29   1     0.06  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    30   1    -0.11  -0.21   0.05    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    31   1     0.06  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.2348              1029.0133              1061.6700
 Red. masses --      3.5082                 2.1282                 4.7249
 Frc consts  --      1.9942                 1.3277                 3.1378
 IR Inten    --      0.9567                 3.4775                54.5933
 RamAct Fr= 1--     20.4731                 5.2922                 3.5304
  Dep-P Fr= 1--      0.1259                 0.4178                 0.2646
  Dep-U Fr= 1--      0.2237                 0.5893                 0.4185
 Alpha2 Fr= 1--      0.3362                 0.0367                 0.0401
 Beta2  Fr= 1--      0.7632                 0.5198                 0.2463
 AlphaG Fr= 1--     -0.1973                 0.1301                 0.0126
 Gamma2 Fr= 1--     -0.2356                -0.5540                 0.5942
 Delta2 Fr= 1--      0.3675                -1.2680                 0.0056
 Raman1 Fr= 1--      81.892                 21.169                 14.122
 ROA1   Fr= 1--     -10.861                -93.757                 57.220
 CID1   Fr= 1--      -0.133                 -4.429                  4.052
 Raman2 Fr= 1--       9.159                  6.238                  2.955
 ROA2   Fr= 1--      -8.595                 -3.151                 14.216
 CID2   Fr= 1--      -0.938                 -0.505                  4.811
 Raman3 Fr= 1--      18.317                 12.475                  5.910
 ROA3   Fr= 1--     -10.861                -93.757                 57.220
 CID3   Fr= 1--      -0.593                 -7.515                  9.681
 RC180  Fr= 1--      -0.553                  0.179                 -0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.00     0.05  -0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.03   0.02  -0.01     0.00  -0.02   0.00    -0.05  -0.03   0.01
     3   6     0.05   0.14  -0.02     0.04  -0.11   0.03     0.03   0.02  -0.00
     4   6    -0.07  -0.00  -0.00    -0.02  -0.02  -0.02     0.00  -0.01  -0.00
     5   6     0.00  -0.14   0.03    -0.03   0.09  -0.01     0.01  -0.02   0.00
     6   6     0.02   0.13  -0.02     0.02  -0.01   0.00     0.01   0.03  -0.01
     7   6    -0.02  -0.12   0.03     0.00   0.02  -0.00    -0.08  -0.04   0.01
     8   1     0.06   0.12  -0.09     0.23  -0.23  -0.04     0.10  -0.01  -0.02
     9   1    -0.11  -0.21   0.03     0.00   0.11  -0.05    -0.07  -0.06   0.01
    10   1    -0.23   0.26  -0.03     0.19  -0.10   0.00     0.06   0.01  -0.01
    11   6    -0.01   0.02   0.05    -0.11   0.09   0.13    -0.02   0.01   0.02
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12    -0.00  -0.00  -0.02
    13   6     0.00  -0.01   0.01     0.03  -0.06   0.06     0.00  -0.01   0.01
    14   1    -0.05   0.03   0.15    -0.34   0.13   0.53    -0.01   0.03   0.06
    15   1    -0.08  -0.01   0.04    -0.10   0.04   0.22     0.01   0.01   0.01
    16   1     0.03   0.06  -0.23     0.06   0.21  -0.27     0.00   0.02   0.01
    17   1    -0.06   0.03  -0.00    -0.00   0.17  -0.33     0.02   0.02  -0.06
    18   8    -0.01  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.00   0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.05     0.00   0.00  -0.01
    20   1     0.01  -0.01  -0.02     0.02  -0.00  -0.06     0.01  -0.01  -0.02
    21   6    -0.05   0.25  -0.05    -0.03   0.01  -0.00     0.01  -0.11   0.02
    22   6     0.07  -0.03   0.00    -0.01  -0.00   0.00     0.19   0.07  -0.03
    23   6    -0.01  -0.24   0.04     0.00  -0.00   0.00    -0.02   0.05  -0.01
    24   8    -0.02   0.06  -0.01    -0.01  -0.01   0.00     0.15   0.27  -0.06
    25   6    -0.05  -0.04   0.01     0.01   0.01  -0.00    -0.17  -0.30   0.07
    26   1     0.33  -0.31  -0.00    -0.04   0.04  -0.01    -0.32   0.08   0.01
    27   1     0.08   0.34  -0.04    -0.06  -0.00   0.01    -0.26  -0.30   0.07
    28   1     0.12  -0.31   0.05     0.00  -0.00  -0.00    -0.39   0.25  -0.02
    29   1     0.04  -0.01  -0.00     0.01   0.01  -0.00    -0.15  -0.21   0.08
    30   1    -0.08  -0.15   0.03     0.01   0.01  -0.00    -0.12  -0.14   0.03
    31   1     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.16  -0.22   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1091.5827              1098.9056              1151.7242
 Red. masses --      2.1733                 1.9279                 1.4455
 Frc consts  --      1.5258                 1.3717                 1.1297
 IR Inten    --      3.2902                19.0391                14.8392
 RamAct Fr= 1--      2.9028                16.8546                 2.2603
  Dep-P Fr= 1--      0.6857                 0.1901                 0.5984
  Dep-U Fr= 1--      0.8136                 0.3194                 0.7487
 Alpha2 Fr= 1--      0.0033                 0.2350                 0.0064
 Beta2  Fr= 1--      0.3936                 0.8973                 0.2821
 AlphaG Fr= 1--      0.0038                -0.2753                 0.0002
 Gamma2 Fr= 1--     -0.1368                -2.0953                 0.1256
 Delta2 Fr= 1--      0.6169                 1.9992                -0.0017
 Raman1 Fr= 1--      11.611                 67.418                  9.041
 ROA1   Fr= 1--       6.605               -137.177                 12.000
 CID1   Fr= 1--       0.569                 -2.035                  1.327
 Raman2 Fr= 1--       4.723                 10.767                  3.385
 ROA2   Fr= 1--      -8.219                -66.282                  3.027
 CID2   Fr= 1--      -1.740                 -6.156                  0.894
 Raman3 Fr= 1--       9.446                 21.534                  6.769
 ROA3   Fr= 1--       6.605               -137.177                 12.000
 CID3   Fr= 1--       0.699                 -6.370                  1.773
 RC180  Fr= 1--       0.627                 -0.361                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.08  -0.01
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.02   0.04  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.06   0.00    -0.05  -0.04   0.01
     4   6     0.10   0.05  -0.00     0.05  -0.01  -0.06    -0.03  -0.02   0.00
     5   6     0.01  -0.06   0.01     0.01  -0.03   0.02     0.01   0.04  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.02  -0.05   0.01
     7   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.06  -0.05   0.01
     8   1    -0.16   0.10  -0.00    -0.21   0.15  -0.07     0.06  -0.10   0.01
     9   1    -0.05  -0.10   0.04    -0.03  -0.06  -0.03     0.26   0.19  -0.05
    10   1    -0.22   0.06   0.00    -0.10   0.04  -0.01    -0.06  -0.03   0.01
    11   6     0.05   0.15  -0.14     0.05  -0.01   0.16     0.04   0.01  -0.01
    12   6    -0.06  -0.14   0.06    -0.11   0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.04  -0.09  -0.02    -0.01   0.01   0.09     0.00  -0.01   0.00
    14   1    -0.02   0.22   0.18     0.32   0.07   0.13     0.16   0.06   0.01
    15   1    -0.05   0.06   0.57     0.33   0.12  -0.23     0.04   0.02   0.03
    16   1    -0.04   0.23   0.25    -0.07  -0.06   0.52    -0.01   0.01   0.08
    17   1     0.09   0.20  -0.41     0.32  -0.01  -0.36     0.04   0.01  -0.06
    18   8    -0.02   0.00  -0.00    -0.04  -0.02   0.00    -0.01  -0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.06    -0.00   0.00   0.00
    20   1    -0.04   0.04   0.16     0.05  -0.04  -0.13    -0.00   0.01   0.02
    21   6    -0.01   0.00  -0.00     0.01  -0.01   0.00     0.05   0.02  -0.01
    22   6     0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03  -0.01
    25   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
    26   1     0.04  -0.01  -0.00     0.04  -0.00  -0.00    -0.39   0.12   0.01
    27   1    -0.07  -0.04   0.01    -0.02  -0.02   0.01     0.64   0.40  -0.12
    28   1     0.05  -0.02   0.00     0.02   0.01  -0.00     0.09  -0.12   0.02
    29   1     0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.02   0.02
    30   1    -0.01  -0.01   0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
    31   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1173.9724              1175.6043              1179.5644
 Red. masses --      1.2770                 1.8628                 1.6646
 Frc consts  --      1.0370                 1.5168                 1.3646
 IR Inten    --      0.8225                42.2800                10.3728
 RamAct Fr= 1--      0.7684                30.0704                20.1154
  Dep-P Fr= 1--      0.7500                 0.3958                 0.5876
  Dep-U Fr= 1--      0.8571                 0.5671                 0.7402
 Alpha2 Fr= 1--      0.0000                 0.2261                 0.0610
 Beta2  Fr= 1--      0.1098                 2.8421                 2.4816
 AlphaG Fr= 1--      0.0004                 0.0142                -0.0357
 Gamma2 Fr= 1--      0.0725                 4.5999                -2.5784
 Delta2 Fr= 1--      0.0279                 5.1432                -1.8184
 Raman1 Fr= 1--       3.073                120.282                 80.462
 ROA1   Fr= 1--       7.853                606.176               -305.719
 CID1   Fr= 1--       2.555                  5.040                 -3.800
 Raman2 Fr= 1--       1.317                 34.106                 29.779
 ROA2   Fr= 1--       1.516                 69.253                -47.335
 CID2   Fr= 1--       1.151                  2.031                 -1.590
 Raman3 Fr= 1--       2.634                 68.211                 59.559
 ROA3   Fr= 1--       7.853                606.176               -305.719
 CID3   Fr= 1--       2.981                  8.887                 -5.133
 RC180  Fr= 1--       0.714                  0.134                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03  -0.03   0.00     0.03  -0.03   0.00
     2   6     0.00   0.00   0.00    -0.00   0.06  -0.01     0.01   0.04  -0.01
     3   6     0.00  -0.00   0.00     0.01  -0.05   0.00     0.00  -0.04   0.01
     4   6     0.00   0.00   0.00     0.09   0.05   0.01    -0.01   0.01  -0.02
     5   6     0.00  -0.00  -0.00     0.06  -0.01  -0.01     0.06   0.01  -0.00
     6   6    -0.00  -0.00  -0.00    -0.07  -0.05   0.01    -0.06  -0.02   0.01
     7   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.00  -0.00
     8   1    -0.00   0.00   0.00    -0.17   0.04   0.03    -0.02  -0.04  -0.02
     9   1     0.00   0.00   0.00     0.40   0.19  -0.05     0.49   0.27  -0.10
    10   1    -0.00   0.00   0.00    -0.47   0.16   0.00    -0.43   0.17  -0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.04    -0.00  -0.02   0.08
    12   6     0.00  -0.00   0.00     0.02  -0.01   0.01    -0.01   0.04  -0.03
    13   6    -0.00   0.00   0.00    -0.04   0.09   0.14     0.03  -0.06  -0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.17  -0.18     0.02   0.02   0.17
    15   1    -0.00  -0.00   0.00    -0.08  -0.03   0.04     0.07   0.02  -0.17
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.11    -0.00  -0.06   0.05
    17   1    -0.00   0.00   0.00    -0.07   0.01   0.04     0.04  -0.05   0.05
    18   8    -0.00  -0.00  -0.00    -0.03  -0.03   0.00     0.04   0.03   0.00
    19   8     0.00   0.00  -0.00     0.05   0.00  -0.05    -0.05  -0.01   0.04
    20   1     0.00  -0.00  -0.00     0.10  -0.12  -0.43    -0.11   0.12   0.43
    21   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    22   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.00  -0.02   0.00
    23   6    -0.00  -0.00  -0.00    -0.03  -0.00   0.00    -0.03   0.01   0.00
    24   8     0.00   0.01   0.06     0.03   0.02  -0.01     0.01   0.01  -0.00
    25   6    -0.01  -0.02  -0.14    -0.00  -0.03   0.01    -0.00  -0.01   0.00
    26   1     0.00   0.00   0.00     0.06  -0.02   0.00     0.18  -0.08   0.00
    27   1    -0.00   0.00   0.01    -0.13  -0.05   0.02    -0.24  -0.12   0.04
    28   1     0.00   0.00   0.02     0.10  -0.07   0.01    -0.00  -0.00   0.00
    29   1     0.30   0.59   0.05    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    30   1     0.02   0.05   0.28     0.02   0.05  -0.01     0.00   0.01  -0.00
    31   1    -0.28  -0.53   0.30    -0.02  -0.01  -0.01    -0.01  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1194.6436              1199.0277              1222.1315
 Red. masses --      1.4623                 1.5793                 1.7380
 Frc consts  --      1.2296                 1.3378                 1.5294
 IR Inten    --     14.7381                26.0099                17.4943
 RamAct Fr= 1--      3.7730                61.3127                10.9809
  Dep-P Fr= 1--      0.6240                 0.1170                 0.2660
  Dep-U Fr= 1--      0.7685                 0.2095                 0.4202
 Alpha2 Fr= 1--      0.0087                 1.0294                 0.1244
 Beta2  Fr= 1--      0.4833                 2.1413                 0.7690
 AlphaG Fr= 1--      0.0046                -0.0841                -0.0315
 Gamma2 Fr= 1--     -2.3937                -1.4587                 1.3801
 Delta2 Fr= 1--     -1.0002                -0.1612                -0.6645
 Raman1 Fr= 1--      15.092                245.251                 43.924
 ROA1   Fr= 1--    -261.798               -145.193                111.226
 CID1   Fr= 1--     -17.347                 -0.592                  2.532
 Raman2 Fr= 1--       5.799                 25.696                  9.228
 ROA2   Fr= 1--     -49.447                -33.720                 38.438
 CID2   Fr= 1--      -8.527                 -1.312                  4.166
 Raman3 Fr= 1--      11.598                 51.392                 18.455
 ROA3   Fr= 1--    -261.798               -145.193                111.226
 CID3   Fr= 1--     -22.572                 -2.825                  6.027
 RC180  Fr= 1--       0.537                 -0.581                 -0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05  -0.00    -0.01  -0.02   0.00     0.06  -0.05   0.00
     2   6    -0.06   0.07  -0.01    -0.04   0.03  -0.00     0.11  -0.08   0.01
     3   6     0.02  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.01  -0.00
     4   6    -0.06   0.01   0.00     0.12   0.05  -0.02    -0.04  -0.05   0.01
     5   6    -0.01   0.00   0.00    -0.01  -0.05   0.01    -0.01   0.04  -0.01
     6   6     0.03  -0.04   0.00     0.00  -0.04   0.01     0.00   0.05  -0.01
     7   6     0.04  -0.04   0.00     0.00   0.03  -0.00    -0.00   0.03  -0.01
     8   1     0.32  -0.16   0.02    -0.29   0.15  -0.02    -0.14   0.07  -0.00
     9   1     0.14   0.10  -0.03    -0.32  -0.25   0.06    -0.05   0.02   0.00
    10   1     0.26  -0.16   0.01     0.14  -0.12   0.01    -0.18   0.16  -0.02
    11   6     0.05   0.00  -0.02    -0.05  -0.02   0.05    -0.00   0.01  -0.02
    12   6    -0.02  -0.02   0.01     0.01   0.04  -0.02     0.01  -0.01   0.01
    13   6    -0.00   0.00   0.02     0.00  -0.00  -0.06     0.01  -0.01   0.01
    14   1     0.19   0.04  -0.05    -0.39  -0.13   0.09     0.17   0.07  -0.01
    15   1     0.03   0.01   0.04     0.00  -0.00  -0.13    -0.02  -0.01   0.05
    16   1    -0.01   0.01   0.05     0.00  -0.05  -0.01     0.01   0.02  -0.03
    17   1     0.04   0.01  -0.05    -0.01  -0.04   0.08    -0.02   0.02  -0.01
    18   8    -0.01  -0.01  -0.00     0.02   0.01   0.00    -0.00   0.00  -0.00
    19   8     0.01   0.00  -0.01    -0.02  -0.01   0.02     0.00   0.00  -0.00
    20   1     0.02  -0.02  -0.06    -0.04   0.04   0.16     0.00  -0.00  -0.04
    21   6    -0.03  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    22   6    -0.05   0.02  -0.00    -0.07   0.01   0.00    -0.01  -0.01   0.00
    23   6     0.01  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.02   0.00
    24   8     0.01   0.04  -0.01     0.02   0.04  -0.01    -0.08   0.04  -0.00
    25   6     0.04  -0.05   0.01     0.03  -0.05   0.01     0.13  -0.05   0.00
    26   1     0.45  -0.26   0.01    -0.13   0.10  -0.01    -0.06   0.07  -0.01
    27   1    -0.18  -0.10   0.03     0.15   0.10  -0.03    -0.09  -0.04   0.01
    28   1     0.36  -0.18   0.01     0.38  -0.20   0.01    -0.24   0.09   0.00
    29   1    -0.16  -0.05   0.06    -0.15  -0.04   0.06    -0.37  -0.09   0.13
    30   1     0.14   0.30  -0.06     0.13   0.29  -0.06     0.30   0.55  -0.12
    31   1    -0.17  -0.07  -0.02    -0.15  -0.06  -0.02    -0.38  -0.12  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1246.8011              1294.8685              1298.1125
 Red. masses --      2.0031                 2.0937                 1.4499
 Frc consts  --      1.8346                 2.0683                 1.4395
 IR Inten    --    139.8618               121.8660               137.6017
 RamAct Fr= 1--      7.6516                17.6263                12.2917
  Dep-P Fr= 1--      0.2474                 0.3539                 0.7466
  Dep-U Fr= 1--      0.3967                 0.5228                 0.8549
 Alpha2 Fr= 1--      0.0913                 0.1528                 0.0007
 Beta2  Fr= 1--      0.5059                 1.5358                 1.7514
 AlphaG Fr= 1--      0.0486                 0.0436                -0.0067
 Gamma2 Fr= 1--      1.7860                 5.4273                -3.5733
 Delta2 Fr= 1--      0.9389                 0.1658                -2.7881
 Raman1 Fr= 1--      30.606                 70.505                 49.167
 ROA1   Fr= 1--     201.497                526.327               -432.259
 CID1   Fr= 1--       6.584                  7.465                 -8.792
 Raman2 Fr= 1--       6.071                 18.429                 21.016
 ROA2   Fr= 1--      35.352                128.929                -63.455
 CID2   Fr= 1--       5.823                  6.996                 -3.019
 Raman3 Fr= 1--      12.142                 36.859                 42.033
 ROA3   Fr= 1--     201.497                526.327               -432.259
 CID3   Fr= 1--      16.595                 14.280                -10.284
 RC180  Fr= 1--      -0.207                  0.046                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.10   0.01     0.05   0.04  -0.01     0.02  -0.03   0.01
     2   6    -0.01  -0.00   0.00     0.15   0.01  -0.01    -0.05   0.00   0.00
     3   6    -0.02   0.04  -0.01    -0.06  -0.01   0.01     0.01   0.00  -0.00
     4   6    -0.07  -0.09   0.02    -0.01  -0.00  -0.00    -0.04  -0.01   0.00
     5   6     0.01   0.01  -0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
     6   6    -0.00   0.03  -0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
     7   6     0.01   0.06  -0.01    -0.01   0.02  -0.00     0.01  -0.01   0.00
     8   1    -0.43   0.25  -0.02     0.00  -0.04   0.01    -0.05   0.04   0.00
     9   1     0.10   0.07  -0.02    -0.30  -0.15   0.04     0.13   0.06  -0.03
    10   1     0.28  -0.12   0.00     0.04  -0.04   0.00     0.07  -0.02   0.00
    11   6    -0.05   0.00  -0.02     0.06   0.03   0.03     0.01   0.03   0.05
    12   6     0.03  -0.01   0.01    -0.01  -0.03  -0.01     0.01  -0.05  -0.00
    13   6     0.02  -0.03   0.00    -0.02   0.04   0.03    -0.02   0.05   0.07
    14   1     0.45   0.20   0.02    -0.27  -0.19  -0.28     0.02  -0.15  -0.56
    15   1    -0.06  -0.02   0.06     0.04   0.02   0.06    -0.02  -0.01   0.14
    16   1     0.02   0.02  -0.08    -0.01   0.06   0.03     0.02   0.11  -0.05
    17   1    -0.05   0.03   0.01     0.03   0.01  -0.08    -0.01   0.06  -0.12
    18   8    -0.01   0.01   0.00     0.02   0.00  -0.01     0.04   0.01  -0.02
    19   8     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.01  -0.04  -0.07
    20   1     0.02  -0.03  -0.13    -0.07   0.11   0.34    -0.12   0.19   0.59
    21   6    -0.01   0.04  -0.01    -0.02   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.11  -0.04   0.02    -0.14  -0.09   0.03     0.05   0.03  -0.01
    23   6    -0.05   0.06  -0.01    -0.08   0.02   0.00     0.02  -0.01  -0.00
    24   8     0.10   0.02  -0.01     0.10   0.03  -0.01    -0.03  -0.01   0.00
    25   6    -0.05  -0.03   0.01    -0.04  -0.04   0.01     0.01   0.01  -0.00
    26   1    -0.07   0.11  -0.02     0.46  -0.23   0.01    -0.25   0.13  -0.00
    27   1    -0.16  -0.05   0.02     0.07   0.07  -0.02    -0.10  -0.06   0.02
    28   1     0.39  -0.17   0.00    -0.34   0.15  -0.00     0.18  -0.09   0.00
    29   1     0.14   0.03  -0.03     0.10   0.03  -0.01    -0.03  -0.02   0.00
    30   1    -0.05  -0.05   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    31   1     0.14   0.04  -0.00     0.10   0.03  -0.02    -0.03  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1302.9977              1323.5338              1335.9201
 Red. masses --      1.9947                 2.1191                 1.7739
 Frc consts  --      1.9953                 2.1872                 1.8653
 IR Inten    --     37.1455                18.8266               142.0692
 RamAct Fr= 1--      1.6295                41.0336                 6.3476
  Dep-P Fr= 1--      0.3514                 0.2021                 0.7190
  Dep-U Fr= 1--      0.5200                 0.3362                 0.8365
 Alpha2 Fr= 1--      0.0142                 0.5542                 0.0034
 Beta2  Fr= 1--      0.1412                 2.2992                 0.8850
 AlphaG Fr= 1--      0.0140                 0.3891                -0.0504
 Gamma2 Fr= 1--     -0.8329                -0.4839                 4.3728
 Delta2 Fr= 1--      0.0503                 0.4959                 2.2390
 Raman1 Fr= 1--       6.518                164.134                 25.390
 ROA1   Fr= 1--     -78.344                -30.588                491.434
 CID1   Fr= 1--     -12.020                 -0.186                 19.355
 Raman2 Fr= 1--       1.695                 27.590                 10.620
 ROA2   Fr= 1--     -20.391                -15.582                 87.035
 CID2   Fr= 1--     -12.032                 -0.565                  8.196
 Raman3 Fr= 1--       3.389                 55.181                 21.240
 ROA3   Fr= 1--     -78.344                -30.588                491.434
 CID3   Fr= 1--     -23.114                 -0.554                 23.138
 RC180  Fr= 1--       0.040                 -0.328                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.11   0.03     0.11  -0.06   0.00     0.01  -0.00  -0.00
     2   6    -0.02  -0.16   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.00
     3   6     0.04   0.05  -0.01    -0.04  -0.03   0.01    -0.01   0.01  -0.00
     4   6    -0.02   0.02  -0.00    -0.14   0.04   0.00    -0.01  -0.01   0.02
     5   6     0.03   0.01  -0.01    -0.01  -0.02   0.01     0.00  -0.00  -0.00
     6   6     0.00   0.06  -0.01     0.02   0.02  -0.01     0.00   0.01  -0.00
     7   6    -0.01   0.09  -0.02     0.03  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.61  -0.24   0.01     0.07  -0.10   0.02    -0.01   0.01   0.02
     9   1    -0.09  -0.05   0.02    -0.00  -0.01   0.00     0.02   0.01   0.02
    10   1    -0.43   0.29  -0.02     0.12  -0.03  -0.00     0.04  -0.02   0.00
    11   6     0.02   0.00  -0.00     0.20   0.03  -0.01     0.02  -0.07  -0.15
    12   6    -0.01  -0.00   0.00    -0.06   0.01   0.00    -0.03   0.06   0.03
    13   6    -0.00   0.01   0.01    -0.02   0.01  -0.05     0.00   0.03   0.16
    14   1    -0.05  -0.03  -0.02    -0.59  -0.22   0.12    -0.08   0.16   0.72
    15   1     0.02   0.00  -0.01     0.19   0.07  -0.07     0.02  -0.01  -0.20
    16   1    -0.01   0.02   0.00    -0.05  -0.00   0.12    -0.03  -0.16  -0.01
    17   1     0.01   0.01  -0.02     0.15  -0.08  -0.02     0.06  -0.06   0.11
    18   8     0.00  -0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.01  -0.03  -0.08
    20   1    -0.01   0.01   0.04     0.05  -0.07  -0.22    -0.09   0.15   0.51
    21   6     0.02  -0.02   0.00     0.00   0.04  -0.01     0.00   0.00  -0.00
    22   6    -0.10  -0.03   0.01     0.01   0.03  -0.01     0.00   0.00  -0.00
    23   6     0.04   0.06  -0.01    -0.04  -0.01   0.00    -0.01   0.00  -0.00
    24   8     0.05   0.01  -0.01    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.07   0.13  -0.02    -0.36   0.20  -0.01    -0.02   0.01   0.00
    27   1     0.17   0.08  -0.03    -0.29  -0.14   0.05    -0.03  -0.01   0.01
    28   1     0.32  -0.09  -0.01     0.15  -0.11   0.01     0.04  -0.02   0.00
    29   1     0.07   0.03  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    30   1     0.01   0.07  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.07   0.03  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.9836              1400.3482              1415.3191
 Red. masses --      1.8695                 5.0267                 1.2170
 Frc consts  --      2.1159                 5.8077                 1.4363
 IR Inten    --      7.4996                 0.5549                10.8150
 RamAct Fr= 1--      2.9607               469.9823                 1.1174
  Dep-P Fr= 1--      0.1312                 0.2186                 0.1761
  Dep-U Fr= 1--      0.2319                 0.3587                 0.2995
 Alpha2 Fr= 1--      0.0480                 6.0729                 0.0162
 Beta2  Fr= 1--      0.1144                28.1003                 0.0558
 AlphaG Fr= 1--     -0.0256                -0.0978                -0.0212
 Gamma2 Fr= 1--     -0.0050                 0.6185                -0.3061
 Delta2 Fr= 1--     -0.3627                 2.6038                -0.0407
 Raman1 Fr= 1--      11.843               1879.929                  4.470
 ROA1   Fr= 1--     -12.090                142.694                -30.687
 CID1   Fr= 1--      -1.021                  0.076                 -6.866
 Raman2 Fr= 1--       1.373                337.203                  0.669
 ROA2   Fr= 1--       2.780                 -5.987                 -7.021
 CID2   Fr= 1--       2.025                 -0.018                -10.490
 Raman3 Fr= 1--       2.747                674.406                  1.339
 ROA3   Fr= 1--     -12.090                142.694                -30.687
 CID3   Fr= 1--      -4.402                  0.212                -22.926
 RC180  Fr= 1--      -0.536                 -0.283                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.01     0.14   0.25  -0.06    -0.01  -0.01   0.00
     2   6     0.08   0.01  -0.01    -0.09  -0.22   0.05     0.01   0.00  -0.00
     3   6    -0.06  -0.04   0.01    -0.19   0.11  -0.01     0.01   0.00   0.00
     4   6     0.01   0.09  -0.02     0.09  -0.20   0.03    -0.01   0.00   0.00
     5   6     0.00   0.04  -0.01     0.22   0.09  -0.03    -0.02  -0.01   0.00
     6   6     0.07  -0.07   0.01    -0.20   0.05   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.07   0.01    -0.01  -0.09   0.02     0.00   0.00  -0.00
     8   1     0.13  -0.15   0.02     0.10  -0.03  -0.00     0.02  -0.01  -0.01
     9   1    -0.42  -0.21   0.07    -0.15  -0.16   0.04     0.03   0.03  -0.01
    10   1    -0.36   0.15  -0.00    -0.02  -0.06   0.01     0.01   0.00  -0.00
    11   6    -0.06  -0.03   0.01     0.00   0.02   0.00     0.01  -0.00  -0.01
    12   6     0.02  -0.00   0.00     0.01  -0.00  -0.02     0.04   0.02  -0.13
    13   6     0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.01
    14   1     0.40   0.12  -0.04    -0.34  -0.10   0.03    -0.02  -0.00   0.04
    15   1    -0.06  -0.03   0.01    -0.01   0.02   0.06    -0.23   0.12   0.45
    16   1     0.01  -0.02  -0.02     0.01   0.04   0.10     0.07  -0.05   0.59
    17   1    -0.04   0.02  -0.00    -0.07  -0.03   0.07    -0.33  -0.24   0.43
    18   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
    20   1    -0.01   0.01   0.02    -0.00   0.00  -0.02    -0.00   0.01   0.02
    21   6     0.02   0.01  -0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.13  -0.02     0.04   0.07  -0.01    -0.00   0.00   0.00
    23   6    -0.09  -0.05   0.02     0.02   0.03  -0.01    -0.00  -0.00   0.00
    24   8     0.02  -0.03   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    26   1    -0.25   0.08   0.00     0.23  -0.23   0.02    -0.02   0.01  -0.00
    27   1    -0.34  -0.22   0.06    -0.16  -0.12   0.03    -0.01  -0.01   0.00
    28   1     0.17  -0.19   0.02     0.47  -0.21   0.01    -0.01   0.00   0.00
    29   1     0.08   0.01  -0.03     0.01  -0.01  -0.01     0.01   0.00  -0.00
    30   1    -0.02   0.01  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    31   1     0.08   0.01   0.01     0.01  -0.01   0.02     0.01   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1426.8675              1456.9537              1476.1770
 Red. masses --      3.5392                 3.5786                 1.2342
 Frc consts  --      4.2454                 4.4757                 1.5846
 IR Inten    --     78.2201                12.0604                 7.4485
 RamAct Fr= 1--    236.8983               160.8033                12.2048
  Dep-P Fr= 1--      0.2130                 0.2210                 0.5797
  Dep-U Fr= 1--      0.3511                 0.3620                 0.7339
 Alpha2 Fr= 1--      3.1077                 2.0643                 0.0390
 Beta2  Fr= 1--     13.8644                 9.7017                 1.4929
 AlphaG Fr= 1--     -0.2470                -0.6268                -0.0187
 Gamma2 Fr= 1--     -1.4456                -2.5855                 0.7623
 Delta2 Fr= 1--      1.0191                -0.0976                 0.4874
 Raman1 Fr= 1--     947.593                643.213                 48.819
 ROA1   Fr= 1--    -106.164               -251.329                 88.779
 CID1   Fr= 1--      -0.112                 -0.391                  1.819
 Raman2 Fr= 1--     166.373                116.421                 17.915
 ROA2   Fr= 1--     -42.846                -61.271                 14.396
 CID2   Fr= 1--      -0.258                 -0.526                  0.804
 Raman3 Fr= 1--     332.746                232.841                 35.829
 ROA3   Fr= 1--    -106.164               -251.329                 88.779
 CID3   Fr= 1--      -0.319                 -1.079                  2.478
 RC180  Fr= 1--      -0.298                 -0.276                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.14   0.03     0.18  -0.01  -0.01    -0.02  -0.00   0.00
     2   6     0.08   0.15  -0.03    -0.17   0.02   0.01     0.01   0.02  -0.00
     3   6    -0.08   0.07  -0.01    -0.11  -0.05   0.02    -0.01   0.02  -0.00
     4   6     0.06   0.02  -0.01    -0.04   0.20  -0.03     0.03   0.00  -0.00
     5   6     0.10   0.01  -0.01     0.12  -0.05   0.00     0.00  -0.02   0.00
     6   6    -0.11  -0.05   0.02    -0.08  -0.00   0.01    -0.04   0.01   0.00
     7   6    -0.15   0.01   0.01     0.13  -0.00  -0.01     0.00  -0.03   0.00
     8   1     0.53  -0.25   0.01     0.26  -0.26   0.03     0.10  -0.04   0.00
     9   1    -0.18  -0.18   0.04    -0.19  -0.25   0.06     0.08   0.03  -0.01
    10   1     0.27  -0.26   0.03     0.07  -0.10   0.01     0.13  -0.07   0.00
    11   6    -0.03  -0.01   0.01    -0.02  -0.05   0.01    -0.01  -0.00   0.00
    12   6     0.01  -0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02     0.00  -0.00  -0.00
    14   1     0.09   0.03  -0.01     0.38   0.10  -0.03    -0.00  -0.00   0.00
    15   1    -0.04  -0.02  -0.02    -0.07  -0.01   0.03    -0.03  -0.03  -0.04
    16   1     0.01   0.02   0.01     0.01  -0.06   0.04     0.00  -0.00   0.02
    17   1    -0.06   0.03  -0.00    -0.02  -0.00   0.02    -0.03   0.04  -0.03
    18   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.02    -0.01   0.02   0.01    -0.00  -0.00   0.00
    21   6     0.17   0.08  -0.03    -0.15   0.04   0.00     0.04   0.03  -0.01
    22   6     0.12  -0.17   0.02    -0.02  -0.14   0.03     0.01  -0.02   0.00
    23   6    -0.14   0.11  -0.01     0.14   0.00  -0.01     0.03  -0.01   0.00
    24   8    -0.06   0.01   0.00     0.01   0.04  -0.01    -0.03  -0.02   0.01
    25   6     0.05   0.03  -0.01     0.03  -0.01   0.00    -0.05  -0.08   0.02
    26   1    -0.07  -0.05   0.01    -0.11   0.15  -0.02    -0.13   0.04   0.00
    27   1    -0.12  -0.11   0.03     0.10   0.23  -0.05    -0.12  -0.07   0.02
    28   1     0.20  -0.05  -0.00    -0.35   0.27  -0.02    -0.14   0.08  -0.00
    29   1    -0.19  -0.12   0.00    -0.11   0.07   0.07     0.38   0.36   0.07
    30   1    -0.01  -0.15   0.03    -0.00  -0.10   0.02     0.13   0.54  -0.11
    31   1    -0.19  -0.11   0.07    -0.12   0.04  -0.08     0.35   0.30  -0.24
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.4741              1493.1481              1497.1000
 Red. masses --      1.0479                 1.0461                 1.0559
 Frc consts  --      1.3753                 1.3741                 1.3944
 IR Inten    --      8.7035                 8.7877                 7.1797
 RamAct Fr= 1--      5.8541                 9.7700                 4.1680
  Dep-P Fr= 1--      0.7433                 0.7500                 0.7167
  Dep-U Fr= 1--      0.8527                 0.8571                 0.8350
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0024
 Beta2  Fr= 1--      0.8320                 1.3957                 0.5800
 AlphaG Fr= 1--     -0.0025                -0.0013                 0.0462
 Gamma2 Fr= 1--      0.6655                -0.1163                 1.2117
 Delta2 Fr= 1--     -0.6549                 0.0401                 1.9039
 Raman1 Fr= 1--      23.416                 39.080                 16.672
 ROA1   Fr= 1--      42.933                 -9.887                177.249
 CID1   Fr= 1--       1.833                 -0.253                 10.631
 Raman2 Fr= 1--       9.984                 16.748                  6.960
 ROA2   Fr= 1--      21.212                 -3.113                 13.850
 CID2   Fr= 1--       2.125                 -0.186                  1.990
 Raman3 Fr= 1--      19.968                 33.497                 13.920
 ROA3   Fr= 1--      42.933                 -9.887                177.249
 CID3   Fr= 1--       2.150                 -0.295                 12.733
 RC180  Fr= 1--       0.705                  0.714                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
     9   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.04  -0.02   0.01
    10   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.01   0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.03   0.03  -0.02     0.00  -0.00   0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    14   1     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.04   0.02   0.04
    15   1     0.03   0.21   0.46     0.00  -0.00  -0.00     0.62   0.23   0.06
    16   1    -0.05  -0.37  -0.34     0.00   0.00   0.00    -0.02   0.60  -0.17
    17   1     0.57  -0.39   0.11    -0.00   0.00  -0.00    -0.12  -0.23   0.30
    18   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.06    -0.00  -0.01   0.00
    26   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    28   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00   0.01  -0.00
    29   1     0.02   0.03   0.01    -0.48  -0.00   0.11     0.01   0.04   0.02
    30   1     0.01   0.04  -0.00     0.05   0.13   0.71     0.00   0.02  -0.00
    31   1     0.03   0.02  -0.02     0.48   0.03   0.03     0.01   0.03  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.0519              1524.8817              1547.2556
 Red. masses --      1.0655                 2.3850                 3.6146
 Frc consts  --      1.4240                 3.2675                 5.0984
 IR Inten    --     38.8858                59.9367                26.0772
 RamAct Fr= 1--      1.8564               155.9899                 6.6062
  Dep-P Fr= 1--      0.7146                 0.2298                 0.2748
  Dep-U Fr= 1--      0.8336                 0.3737                 0.4311
 Alpha2 Fr= 1--      0.0011                 1.9552                 0.0730
 Beta2  Fr= 1--      0.2579                 9.7151                 0.4747
 AlphaG Fr= 1--      0.0010                -0.2485                -0.1241
 Gamma2 Fr= 1--     -0.0675                -0.5135                -1.4326
 Delta2 Fr= 1--     -0.0811                 0.6657                 0.3910
 Raman1 Fr= 1--       7.425                623.960                 26.425
 ROA1   Fr= 1--      -9.078                -27.991               -125.016
 CID1   Fr= 1--      -1.223                 -0.045                 -4.731
 Raman2 Fr= 1--       3.095                116.581                  5.696
 ROA2   Fr= 1--      -0.972                -17.649                -37.511
 CID2   Fr= 1--      -0.314                 -0.151                 -6.586
 Raman3 Fr= 1--       6.190                233.161                 11.392
 ROA3   Fr= 1--      -9.078                -27.991               -125.016
 CID3   Fr= 1--      -1.467                 -0.120                -10.974
 RC180  Fr= 1--       0.667                 -0.253                 -0.138
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.10  -0.04   0.00     0.10  -0.05   0.00
     2   6     0.00  -0.00   0.00    -0.08   0.04  -0.00     0.14  -0.09   0.01
     3   6     0.01   0.01  -0.00     0.05  -0.05   0.01    -0.08  -0.03   0.01
     4   6     0.00  -0.02   0.00    -0.12   0.02   0.01     0.08   0.17  -0.04
     5   6    -0.01   0.01  -0.00     0.07   0.07  -0.02    -0.08  -0.15   0.03
     6   6     0.01  -0.01   0.00     0.07  -0.07   0.01    -0.12   0.14  -0.02
     7   6     0.00  -0.01   0.00    -0.11   0.09  -0.01    -0.08   0.10  -0.01
     8   1    -0.02   0.02  -0.00    -0.20   0.07   0.00     0.20  -0.19   0.02
     9   1    -0.01   0.01  -0.00    -0.32  -0.16   0.05     0.37   0.11  -0.05
    10   1    -0.04   0.02  -0.00    -0.29   0.11   0.00     0.44  -0.14  -0.00
    11   6     0.00   0.00  -0.00     0.03  -0.00  -0.00    -0.03  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.03  -0.01   0.00     0.03   0.00  -0.00     0.16   0.04  -0.02
    15   1    -0.02  -0.01  -0.00    -0.08  -0.04  -0.03     0.04   0.02   0.01
    16   1     0.00  -0.02   0.01     0.01  -0.04   0.08    -0.00   0.03  -0.04
    17   1     0.00   0.01  -0.01    -0.05   0.05  -0.03     0.01  -0.03   0.02
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00   0.01   0.00
    21   6     0.01   0.01  -0.00    -0.05  -0.09   0.02    -0.06  -0.13   0.03
    22   6    -0.01   0.00   0.00     0.16   0.01  -0.01     0.05   0.18  -0.04
    23   6    -0.01   0.00  -0.00    -0.06   0.04  -0.00    -0.08  -0.05   0.01
    24   8     0.02  -0.01   0.00    -0.06  -0.02   0.01     0.00  -0.03   0.00
    25   6     0.04  -0.03   0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    26   1    -0.02   0.00   0.00     0.38  -0.17   0.00     0.33  -0.11  -0.00
    27   1    -0.04  -0.03   0.01     0.34   0.15  -0.05     0.24   0.05  -0.03
    28   1     0.04  -0.02   0.00     0.24  -0.10   0.00     0.17  -0.18   0.02
    29   1    -0.25   0.51   0.31     0.17   0.20   0.05    -0.01   0.12   0.05
    30   1    -0.08  -0.36   0.07     0.05   0.24  -0.05    -0.03  -0.07   0.01
    31   1    -0.31   0.38  -0.43     0.15   0.16  -0.14    -0.02   0.09  -0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1615.2904              1651.6100              1672.3923
 Red. masses --      6.9900                 5.5257                 6.1270
 Frc consts  --     10.7455                 8.8808                10.0966
 IR Inten    --      5.2068                84.5677                86.9774
 RamAct Fr= 1--     47.9928                35.8139               270.1270
  Dep-P Fr= 1--      0.2049                 0.4079                 0.4367
  Dep-U Fr= 1--      0.3401                 0.5794                 0.6079
 Alpha2 Fr= 1--      0.6433                 0.2579                 1.7457
 Beta2  Fr= 1--      2.7205                 3.4586                27.3673
 AlphaG Fr= 1--      0.4133                -0.0332                -0.2813
 Gamma2 Fr= 1--     -0.3227                 0.6689                -1.6503
 Delta2 Fr= 1--      0.4798                -1.3508                 0.3168
 Raman1 Fr= 1--     191.971                143.256               1080.508
 ROA1   Fr= 1--     -15.620                 20.989               -148.288
 CID1   Fr= 1--      -0.081                  0.147                 -0.137
 Raman2 Fr= 1--      32.646                 41.503                328.408
 ROA2   Fr= 1--     -11.582                 26.859                -42.140
 CID2   Fr= 1--      -0.355                  0.647                 -0.128
 Raman3 Fr= 1--      65.293                 83.005                656.816
 ROA3   Fr= 1--     -15.620                 20.989               -148.288
 CID3   Fr= 1--      -0.239                  0.253                 -0.226
 RC180  Fr= 1--      -0.320                  0.159                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.27   0.05    -0.06   0.01   0.00    -0.24   0.09   0.00
     2   6     0.09   0.27  -0.06     0.02  -0.02   0.00     0.23  -0.08  -0.00
     3   6    -0.08   0.17  -0.03     0.22  -0.15   0.01     0.18  -0.09   0.00
     4   6     0.01  -0.23   0.04    -0.19   0.13  -0.01    -0.11   0.06  -0.00
     5   6     0.18   0.13  -0.04     0.23   0.03  -0.02     0.16   0.02  -0.01
     6   6    -0.13  -0.08   0.02    -0.23   0.05   0.01    -0.20   0.07   0.00
     7   6     0.14   0.08  -0.02    -0.20   0.03   0.01     0.27  -0.08  -0.00
     8   1     0.32  -0.03  -0.02    -0.36   0.14   0.00    -0.27   0.14  -0.01
     9   1    -0.21  -0.12   0.03    -0.22  -0.26   0.06    -0.11  -0.15   0.03
    10   1     0.07  -0.19   0.03     0.17  -0.18   0.02     0.22  -0.16   0.01
    11   6     0.01   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1    -0.17  -0.04   0.02     0.12   0.02  -0.01     0.05   0.01  -0.00
    15   1    -0.01   0.00   0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.02  -0.00     0.00  -0.00   0.03     0.00   0.00   0.01
    17   1     0.02  -0.00  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    18   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.01  -0.02     0.01  -0.00  -0.02
    21   6    -0.20  -0.15   0.04     0.22   0.02  -0.02    -0.22  -0.01   0.02
    22   6    -0.03   0.27  -0.05    -0.17   0.13  -0.01     0.14  -0.10   0.01
    23   6     0.09  -0.20   0.03     0.15  -0.12   0.01    -0.20   0.12  -0.01
    24   8     0.03  -0.02   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    25   6    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.04   0.19  -0.03     0.12  -0.16   0.02    -0.28   0.22  -0.02
    27   1     0.19   0.11  -0.03    -0.19  -0.26   0.06     0.13   0.23  -0.05
    28   1    -0.36   0.02   0.02    -0.26   0.07   0.00     0.31  -0.14   0.00
    29   1     0.01   0.00  -0.00    -0.06  -0.04  -0.01     0.04   0.05   0.02
    30   1    -0.03  -0.05   0.01    -0.02  -0.09   0.02     0.01   0.05  -0.01
    31   1     0.01   0.00   0.00    -0.05  -0.03   0.04     0.03   0.04  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.7563              3011.0945              3013.7568
 Red. masses --     10.4395                 1.0345                 1.0813
 Frc consts  --     20.7281                 5.5264                 5.7867
 IR Inten    --    408.7640                47.6301                10.7406
 RamAct Fr= 1--     33.4987               238.6634                91.1559
  Dep-P Fr= 1--      0.3498                 0.0718                 0.1402
  Dep-U Fr= 1--      0.5183                 0.1340                 0.2459
 Alpha2 Fr= 1--      0.2943                 4.4745                 1.4445
 Beta2  Fr= 1--      2.8937                 5.3299                 3.7364
 AlphaG Fr= 1--     -1.2670                -0.1366                -0.3427
 Gamma2 Fr= 1--     -6.0575                 0.2270                -3.8554
 Delta2 Fr= 1--      0.6329                 0.4614                -1.7640
 Raman1 Fr= 1--     133.995                954.654                364.624
 ROA1   Fr= 1--    -561.263                 36.554               -426.568
 CID1   Fr= 1--      -4.189                  0.038                 -1.170
 Raman2 Fr= 1--      34.725                 63.958                 44.837
 ROA2   Fr= 1--    -150.442                  1.756                -78.418
 CID2   Fr= 1--      -4.332                  0.027                 -1.749
 Raman3 Fr= 1--      69.450                127.917                 89.673
 ROA3   Fr= 1--    -561.263                 36.554               -426.568
 CID3   Fr= 1--      -8.082                  0.286                 -4.757
 RC180  Fr= 1--       0.037                 -0.732                 -0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.07   0.02
    12   6     0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    13   6     0.63   0.37  -0.12    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.01  -0.04    -0.01   0.02  -0.01    -0.33   0.89  -0.27
    15   1     0.01   0.03   0.03     0.00  -0.00   0.00     0.03  -0.08   0.03
    16   1     0.03   0.05   0.04    -0.00   0.00  -0.00     0.01   0.00   0.00
    17   1    -0.07  -0.03   0.09    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    18   8    -0.40  -0.23   0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.03  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   1    -0.06   0.14   0.42     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.05  -0.01     0.00  -0.00   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.17  -0.25   0.60    -0.00   0.01  -0.02
    30   1    -0.00  -0.00   0.00    -0.28   0.09   0.00     0.01  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.09  -0.45  -0.49    -0.00   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.6222              3067.6384              3114.0768
 Red. masses --      1.0349                 1.1058                 1.1027
 Frc consts  --      5.6744                 6.1309                 6.3004
 IR Inten    --     16.4755                33.0668                15.9485
 RamAct Fr= 1--    186.2988                65.2233                36.1583
  Dep-P Fr= 1--      0.0312                 0.7499                 0.6608
  Dep-U Fr= 1--      0.0604                 0.8571                 0.7957
 Alpha2 Fr= 1--      3.8480                 0.0001                 0.0576
 Beta2  Fr= 1--      1.8769                 9.3169                 4.7954
 AlphaG Fr= 1--     -0.1122                -0.0814                 0.0160
 Gamma2 Fr= 1--      1.5554                -1.1882                -5.1156
 Delta2 Fr= 1--      4.1030                -0.4769                -1.3837
 Raman1 Fr= 1--     745.195                260.893                144.633
 ROA1   Fr= 1--     280.611               -129.327               -535.373
 CID1   Fr= 1--       0.377                 -0.496                 -3.702
 Raman2 Fr= 1--      22.523                111.803                 57.545
 ROA2   Fr= 1--       4.504                -24.701               -111.704
 CID2   Fr= 1--       0.200                 -0.221                 -1.941
 Raman3 Fr= 1--      45.046                223.606                115.089
 ROA3   Fr= 1--     280.611               -129.327               -535.373
 CID3   Fr= 1--       6.229                 -0.578                 -4.652
 RC180  Fr= 1--      -0.879                  0.714                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.01   0.05     0.00   0.00  -0.00     0.00  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.08  -0.03
    15   1    -0.20   0.56  -0.19     0.00  -0.00   0.00    -0.23   0.63  -0.24
    16   1     0.47  -0.01  -0.02    -0.00   0.00   0.00    -0.04  -0.02  -0.00
    17   1    -0.24  -0.45  -0.37     0.00   0.00   0.00     0.27   0.48   0.41
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.09     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    28   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00     0.19  -0.28   0.62    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.11   0.48   0.50    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3133.1339              3140.1729              3157.1065
 Red. masses --      1.1020                 1.0993                 1.0898
 Frc consts  --      6.3738                 6.3867                 6.3997
 IR Inten    --     17.1214                22.8754                 6.6750
 RamAct Fr= 1--    218.6219               186.0304                44.8520
  Dep-P Fr= 1--      0.4706                 0.4186                 0.3128
  Dep-U Fr= 1--      0.6400                 0.5902                 0.4765
 Alpha2 Fr= 1--      1.2308                 1.2877                 0.4426
 Beta2  Fr= 1--     23.3196                18.2977                 3.5623
 AlphaG Fr= 1--      0.7244                 0.0047                -0.2510
 Gamma2 Fr= 1--      7.0266                -0.5249                 1.1000
 Delta2 Fr= 1--     -1.8323                 0.2123                 1.5800
 Raman1 Fr= 1--     874.487                744.122                179.408
 ROA1   Fr= 1--     615.924                -43.601                156.162
 CID1   Fr= 1--       0.704                 -0.059                  0.870
 Raman2 Fr= 1--     279.835                219.573                 42.747
 ROA2   Fr= 1--     183.298                -14.297                 13.760
 CID2   Fr= 1--       0.655                 -0.065                  0.322
 Raman3 Fr= 1--     559.670                439.146                 85.494
 ROA3   Fr= 1--     615.924                -43.601                156.162
 CID3   Fr= 1--       1.101                 -0.099                  1.827
 RC180  Fr= 1--       0.280                  0.180                 -0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.45   0.86  -0.19
     9   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.04  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.08  -0.26   0.09    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88  -0.02  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.00
    17   1     0.12   0.26   0.21    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.08   0.04  -0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
    27   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00   0.00   0.00
    29   1     0.00  -0.00   0.00     0.04  -0.06   0.18     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.92  -0.27  -0.01    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00     0.02  -0.12  -0.15     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3161.5794              3174.9084              3179.2345
 Red. masses --      1.0863                 1.0882                 1.0945
 Frc consts  --      6.3977                 6.4631                 6.5180
 IR Inten    --      4.9885                 6.3767                14.4098
 RamAct Fr= 1--     75.4145                72.4320               167.5956
  Dep-P Fr= 1--      0.6842                 0.5966                 0.1833
  Dep-U Fr= 1--      0.8125                 0.7473                 0.3099
 Alpha2 Fr= 1--      0.0873                 0.2062                 2.3780
 Beta2  Fr= 1--     10.2121                 9.0220                 8.6549
 AlphaG Fr= 1--      0.0924                 0.0053                 0.2681
 Gamma2 Fr= 1--      1.7283                 0.6459                -0.1330
 Delta2 Fr= 1--      0.7476                -0.1076                -0.7373
 Raman1 Fr= 1--     301.658                289.728                670.382
 ROA1   Fr= 1--     189.843                 58.558                -36.358
 CID1   Fr= 1--       0.629                  0.202                 -0.054
 Raman2 Fr= 1--     122.545                108.264                103.859
 ROA2   Fr= 1--      35.499                 16.362                  2.708
 CID2   Fr= 1--       0.290                  0.151                  0.026
 Raman3 Fr= 1--     245.091                216.528                207.718
 ROA3   Fr= 1--     189.843                 58.558                -36.358
 CID3   Fr= 1--       0.775                  0.270                 -0.175
 RC180  Fr= 1--       0.625                  0.495                 -0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.03  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.05   0.01
     6   6     0.02   0.05  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.01
     7   6     0.00   0.00  -0.00    -0.04  -0.07   0.02     0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00     0.04   0.07  -0.02    -0.02  -0.04   0.01
     9   1    -0.41   0.65  -0.09    -0.01   0.02  -0.00    -0.33   0.52  -0.07
    10   1    -0.28  -0.54   0.12     0.01   0.02  -0.00     0.36   0.67  -0.15
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.00     0.43   0.81  -0.18    -0.01  -0.02   0.00
    27   1    -0.00   0.00  -0.00     0.18  -0.28   0.04    -0.01   0.01  -0.00
    28   1     0.01   0.02  -0.00     0.01   0.02  -0.00    -0.02  -0.04   0.01
    29   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.3067              3206.0031              3715.3566
 Red. masses --      1.0939                 1.0892                 1.0650
 Frc consts  --      6.6013                 6.5963                 8.6619
 IR Inten    --      4.7939                 8.9580               134.5524
 RamAct Fr= 1--    199.9884                84.9847               226.8086
  Dep-P Fr= 1--      0.2287                 0.2755                 0.2299
  Dep-U Fr= 1--      0.3723                 0.4320                 0.3739
 Alpha2 Fr= 1--      2.5138                 0.9367                 2.8416
 Beta2  Fr= 1--     12.4099                 6.1193                14.1337
 AlphaG Fr= 1--      0.0169                -0.0291                -3.9810
 Gamma2 Fr= 1--     -0.2089                -0.3447               -46.2514
 Delta2 Fr= 1--      0.5256                -0.0174                 0.9043
 Raman1 Fr= 1--     799.954                339.939                907.234
 ROA1   Fr= 1--      -3.235                -33.653              -4411.196
 CID1   Fr= 1--      -0.004                 -0.099                 -4.862
 Raman2 Fr= 1--     148.919                 73.432                169.605
 ROA2   Fr= 1--      -9.218                 -8.135              -1117.268
 CID2   Fr= 1--      -0.062                 -0.111                 -6.587
 Raman3 Fr= 1--     297.838                146.864                339.209
 ROA3   Fr= 1--      -3.235                -33.653              -4411.196
 CID3   Fr= 1--      -0.011                 -0.229                -13.004
 RC180  Fr= 1--      -0.255                 -0.136                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00     0.02   0.05  -0.01     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.03   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.89   0.45  -0.02
    21   6     0.05  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.04  -0.08   0.02     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.16   0.28  -0.06    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   1    -0.52   0.78  -0.10    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01   0.00     0.45   0.86  -0.19     0.00   0.00  -0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00    -0.00   0.01   0.02    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.007688565.053429014.99569
           X            0.99993   0.00039  -0.01150
           Y           -0.00077   0.99945  -0.03303
           Z            0.01148   0.03303   0.99939
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06359     0.01011     0.00961
 Rotational constants (GHZ):           1.32506     0.21071     0.20019
 Zero-point vibrational energy     657833.2 (Joules/Mol)
                                  157.22591 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     30.12    44.58    66.74   130.44   174.33
          (Kelvin)            207.38   262.16   270.99   314.24   332.36
                              372.80   412.80   477.38   516.40   576.87
                              596.47   669.91   693.32   699.45   733.35
                              768.12   777.40   831.97   869.30   915.15
                              990.82   999.58  1063.53  1119.84  1129.57
                             1180.38  1199.57  1208.91  1246.18  1267.75
                             1334.25  1363.88  1383.34  1394.61  1413.22
                             1480.52  1527.51  1570.54  1581.08  1657.07
                             1689.08  1691.43  1697.13  1718.83  1725.13
                             1758.37  1793.87  1863.03  1867.69  1874.72
                             1904.27  1922.09  1994.12  2014.79  2036.33
                             2052.94  2096.23  2123.89  2147.34  2148.31
                             2153.99  2166.87  2193.96  2226.16  2324.04
                             2376.30  2406.20  2641.24  4332.29  4336.12
                             4389.16  4413.65  4480.46  4507.88  4518.01
                             4542.37  4548.81  4567.99  4574.21  4604.53
                             4612.72  5345.57
 
 Zero-point correction=                           0.250555 (Hartree/Particle)
 Thermal correction to Energy=                    0.265801
 Thermal correction to Enthalpy=                  0.266745
 Thermal correction to Gibbs Free Energy=         0.206535
 Sum of electronic and zero-point Energies=           -767.721876
 Sum of electronic and thermal Energies=              -767.706630
 Sum of electronic and thermal Enthalpies=            -767.705686
 Sum of electronic and thermal Free Energies=         -767.765896
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.793             58.690            126.722
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.019
 Vibrational            165.015             52.728             51.501
 Vibration     1          0.593              1.986              6.544
 Vibration     2          0.594              1.984              5.766
 Vibration     3          0.595              1.979              4.966
 Vibration     4          0.602              1.956              3.646
 Vibration     5          0.609              1.932              3.082
 Vibration     6          0.616              1.909              2.748
 Vibration     7          0.630              1.864              2.306
 Vibration     8          0.633              1.856              2.244
 Vibration     9          0.646              1.813              1.972
 Vibration    10          0.653              1.794              1.871
 Vibration    11          0.668              1.747              1.668
 Vibration    12          0.684              1.698              1.492
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.734              1.557              1.127
 Vibration    15          0.767              1.468              0.959
 Vibration    16          0.778              1.439              0.911
 Vibration    17          0.823              1.326              0.750
 Vibration    18          0.838              1.290              0.705
 Vibration    19          0.842              1.281              0.694
 Vibration    20          0.865              1.228              0.634
 Vibration    21          0.889              1.175              0.579
 Vibration    22          0.895              1.161              0.565
 Vibration    23          0.935              1.078              0.489
 Vibration    24          0.963              1.023              0.443
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.100089D-94        -94.999612       -218.744691
 Total V=0       0.176923D+21         20.247783         46.622244
 Vib (Bot)       0.198743-109       -109.701708       -252.597518
 Vib (Bot)    1  0.989514D+01          0.995422          2.292044
 Vib (Bot)    2  0.668240D+01          0.824933          1.899477
 Vib (Bot)    3  0.445830D+01          0.649170          1.494768
 Vib (Bot)    4  0.226757D+01          0.355560          0.818708
 Vib (Bot)    5  0.168618D+01          0.226905          0.522467
 Vib (Bot)    6  0.140915D+01          0.148957          0.342986
 Vib (Bot)    7  0.110147D+01          0.041973          0.096646
 Vib (Bot)    8  0.106325D+01          0.026637          0.061333
 Vib (Bot)    9  0.906260D+00         -0.042747         -0.098429
 Vib (Bot)   10  0.852239D+00         -0.069439         -0.159888
 Vib (Bot)   11  0.749938D+00         -0.124975         -0.287765
 Vib (Bot)   12  0.667639D+00         -0.175459         -0.404008
 Vib (Bot)   13  0.562518D+00         -0.249863         -0.575332
 Vib (Bot)   14  0.511049D+00         -0.291537         -0.671289
 Vib (Bot)   15  0.444234D+00         -0.352388         -0.811403
 Vib (Bot)   16  0.425296D+00         -0.371309         -0.854970
 Vib (Bot)   17  0.363603D+00         -0.439372         -1.011691
 Vib (Bot)   18  0.346509D+00         -0.460286         -1.059848
 Vib (Bot)   19  0.342211D+00         -0.465706         -1.072327
 Vib (Bot)   20  0.319660D+00         -0.495311         -1.140496
 Vib (Bot)   21  0.298484D+00         -0.525079         -1.209040
 Vib (Bot)   22  0.293137D+00         -0.532930         -1.227116
 Vib (Bot)   23  0.263988D+00         -0.578416         -1.331852
 Vib (Bot)   24  0.246073D+00         -0.608936         -1.402126
 Vib (V=0)       0.351308D+06          5.545687         12.769417
 Vib (V=0)    1  0.104078D+02          1.017357          2.342552
 Vib (V=0)    2  0.720108D+01          0.857398          1.974231
 Vib (V=0)    3  0.498625D+01          0.697774          1.606685
 Vib (V=0)    4  0.282204D+01          0.450563          1.037460
 Vib (V=0)    5  0.225875D+01          0.353869          0.814813
 Vib (V=0)    6  0.199523D+01          0.299992          0.690757
 Vib (V=0)    7  0.170964D+01          0.232906          0.536285
 Vib (V=0)    8  0.167495D+01          0.224002          0.515783
 Vib (V=0)    9  0.153504D+01          0.186120          0.428556
 Vib (V=0)   10  0.148808D+01          0.172628          0.397490
 Vib (V=0)   11  0.140134D+01          0.146542          0.337426
 Vib (V=0)   12  0.133411D+01          0.125192          0.288265
 Vib (V=0)   13  0.125261D+01          0.097817          0.225232
 Vib (V=0)   14  0.121496D+01          0.084563          0.194713
 Vib (V=0)   15  0.116884D+01          0.067754          0.156010
 Vib (V=0)   16  0.115641D+01          0.063113          0.145322
 Vib (V=0)   17  0.111823D+01          0.048531          0.111746
 Vib (V=0)   18  0.110833D+01          0.044670          0.102856
 Vib (V=0)   19  0.110589D+01          0.043714          0.100655
 Vib (V=0)   20  0.109345D+01          0.038799          0.089338
 Vib (V=0)   21  0.108232D+01          0.034354          0.079104
 Vib (V=0)   22  0.107959D+01          0.033260          0.076585
 Vib (V=0)   23  0.106541D+01          0.027517          0.063361
 Vib (V=0)   24  0.105727D+01          0.024187          0.055692
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.367099D+07          6.564783         15.115972
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2211111110000                             866655544444444333322221111110000999998888877766665555444443322221111    
     1            0077654316511                             3751420999752108320994299877599628664286432873983074318861053853188429432
     5            6095270348141                             6225756732677506643857295064292292918716040589596480406265192791882411611
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX  XX     X   X XXXX    X    X      X           X                      
     X                                                      XXX  X      X   X  XXX         X                                         
     X                                                      XXX         X   X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  X X                                                   
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002741    0.000003986   -0.000001464
      2        6          -0.000006029    0.000000575    0.000000669
      3        6           0.000006321    0.000003576    0.000003242
      4        6           0.000004593   -0.000009776   -0.000000919
      5        6          -0.000004242    0.000000805    0.000001953
      6        6           0.000006877    0.000000063   -0.000000546
      7        6           0.000006975   -0.000003671   -0.000000612
      8        1          -0.000000070   -0.000001242   -0.000001156
      9        1           0.000001020    0.000000742   -0.000001219
     10        1          -0.000001695    0.000000871   -0.000000588
     11        6          -0.000016424   -0.000003783    0.000013757
     12        6          -0.000008382   -0.000000266   -0.000015311
     13        6           0.000035952    0.000008978   -0.000031247
     14        1           0.000000527    0.000002278   -0.000002293
     15        1           0.000005772   -0.000000656    0.000003258
     16        1           0.000000724    0.000001247   -0.000005115
     17        1           0.000003755   -0.000000511   -0.000000968
     18        8          -0.000021143   -0.000009846    0.000008178
     19        8          -0.000012453    0.000004106    0.000027311
     20        1          -0.000000330    0.000000848   -0.000003207
     21        6           0.000001932   -0.000006432    0.000002697
     22        6          -0.000016271    0.000012808    0.000004250
     23        6           0.000022271   -0.000010195   -0.000000666
     24        8           0.000017930    0.000017841   -0.000011625
     25        6          -0.000032317   -0.000031672    0.000012631
     26        1          -0.000001233    0.000000018    0.000000455
     27        1           0.000000094    0.000001054    0.000000761
     28        1           0.000007847    0.000004028   -0.000001140
     29        1           0.000000629    0.000005584   -0.000002903
     30        1           0.000001229    0.000001491    0.000001260
     31        1          -0.000001116    0.000007152    0.000000561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035952 RMS     0.000010061
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308395D+03 -0.125800D+02 -0.104217D+02
      2  -0.125800D+02  0.181233D+03 -0.848109D+01
      3  -0.104217D+02 -0.848109D+01  0.124226D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.113787D+02  0.198654D+02 -0.165629D+02
      2  -0.270497D+02 -0.134991D+02 -0.289804D+02
      3   0.498761D+02 -0.619049D+02  0.220942D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.341578D+03 -0.972397D+02 -0.147240D+02
      2  -0.150558D+03  0.791437D+02 -0.121771D+02
      3  -0.191020D+03  0.180960D+02  0.269011D+02
      4  -0.163885D+02  0.130644D+03 -0.453872D+02
      5   0.482563D+02 -0.541616D+02 -0.608970D+02
      6  -0.265750D+02  0.418263D+02  0.270780D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.383672D+02  0.697530D+01  0.738708D+00 -0.356796D+02  0.109909D+02
      2   0.697530D+01 -0.322464D+01  0.187878D-01  0.109909D+02 -0.106570D+02
      3   0.738708D+00  0.187878D-01  0.110755D+00  0.118048D+00  0.117948D+01
                 6             7             8             9            10 
      1   0.118048D+00  0.957038D+01 -0.277166D+01 -0.904087D+00  0.468107D+02
      2   0.117948D+01 -0.277166D+01  0.178453D+01 -0.133935D+01 -0.103871D+02
      3   0.526457D+00 -0.904087D+00 -0.133935D+01  0.531531D+00 -0.829910D+00
                11            12            13            14            15 
      1  -0.103871D+02 -0.829910D+00  0.328036D+02 -0.911714D+01 -0.603860D-01
      2   0.694285D+01 -0.709105D+00 -0.911714D+01  0.857024D+01 -0.849021D+00
      3  -0.709105D+00 -0.464984D+00 -0.603860D-01 -0.849021D+00 -0.405012D+00
                16            17            18            19            20 
      1  -0.917477D+01  0.267920D+01  0.147243D+01  0.368203D+02 -0.738734D+01
      2   0.267920D+01 -0.166879D+01  0.120748D+01 -0.738734D+01  0.478772D+01
      3   0.147243D+01  0.120748D+01 -0.293095D+00 -0.368369D+00 -0.534551D+00
                21            22            23            24            25 
      1  -0.368369D+00 -0.287323D+02  0.444771D+01 -0.159675D+00  0.382665D+01
      2  -0.534551D+00  0.444771D+01 -0.553980D+01 -0.183287D+00 -0.907610D+00
      3   0.118127D+00 -0.159675D+00 -0.183287D+00 -0.193135D+01 -0.123288D+01
                26            27            28            29            30 
      1  -0.907610D+00 -0.123288D+01 -0.528877D+02  0.650514D+01  0.797377D+00
      2  -0.364700D+00 -0.278632D+01  0.650514D+01 -0.360337D+01 -0.259255D+00
      3  -0.278632D+01  0.175172D+01  0.797377D+00 -0.259255D+00 -0.232398D+01
                31            32            33            34            35 
      1   0.137581D+02 -0.200353D+01 -0.132475D+01 -0.427008D+01 -0.720971D+00
      2  -0.200353D+01  0.950189D+01 -0.141055D+01 -0.720971D+00 -0.817013D+00
      3  -0.132475D+01 -0.141055D+01  0.274696D+00 -0.661028D+01  0.115888D+01
                36            37            38            39            40 
      1  -0.661028D+01  0.163675D+01 -0.853360D-01  0.169301D-01  0.137895D+02
      2   0.115888D+01 -0.853360D-01 -0.107001D+02  0.171657D+01 -0.214602D+01
      3   0.416013D+00  0.169301D-01  0.171657D+01 -0.246586D+01 -0.643519D+00
                41            42            43            44            45 
      1  -0.214602D+01 -0.643519D+00 -0.325062D+01 -0.389043D+00 -0.510027D+01
      2  -0.919793D+00  0.133290D+01 -0.389043D+00  0.233216D+01  0.334652D+01
      3   0.133290D+01  0.174119D+01 -0.510027D+01  0.334652D+01 -0.760495D+00
                46            47            48            49            50 
      1   0.429206D+01 -0.217293D+01  0.273139D+00  0.300286D+01 -0.246364D+01
      2  -0.217293D+01  0.859462D+01 -0.602155D+00 -0.246364D+01  0.475811D+00
      3   0.273139D+00 -0.602155D+00  0.241913D+01  0.573082D+00  0.108089D+01
                51            52            53            54            55 
      1   0.573082D+00 -0.438296D+00  0.849441D+00  0.908890D+00 -0.117477D+02
      2   0.108089D+01  0.849441D+00  0.926361D+00  0.392474D+01  0.506106D+01
      3   0.989476D+00  0.908890D+00  0.392474D+01 -0.202790D+01 -0.402114D+00
                56            57            58            59            60 
      1   0.506106D+01 -0.402114D+00  0.221384D+01  0.153079D-01 -0.636701D+00
      2  -0.114691D+02  0.114006D+01  0.153079D-01  0.105127D+01 -0.117734D+01
      3   0.114006D+01 -0.253900D+01 -0.636701D+00 -0.117734D+01 -0.105379D+01
                61            62            63            64            65 
      1   0.132812D-01 -0.944197D+00 -0.143134D+01 -0.239642D+01 -0.238444D+01
      2  -0.944197D+00 -0.749809D+00 -0.359709D+01 -0.238444D+01 -0.144366D+01
      3  -0.143134D+01 -0.359709D+01  0.215874D+01  0.577806D+00  0.334287D+00
                66            67            68            69            70 
      1   0.577806D+00 -0.321286D+01 -0.307970D+01  0.787627D+00  0.949602D+00
      2   0.334287D+00 -0.307970D+01 -0.504014D+01  0.102741D+01  0.744469D+00
      3  -0.417586D+00  0.787627D+00  0.102741D+01 -0.873778D+00 -0.207717D+00
                71            72            73            74            75 
      1   0.744469D+00 -0.207717D+00 -0.456029D+01  0.330642D+01 -0.245674D+00
      2   0.939382D+00 -0.372890D+00  0.330642D+01 -0.344785D+01  0.358470D+00
      3  -0.372890D+00  0.250318D+00 -0.245674D+00  0.358470D+00 -0.270194D+00
                76            77            78            79            80 
      1   0.358423D+01 -0.470917D+01  0.687157D+00 -0.304947D+00  0.759418D+00
      2  -0.470917D+01  0.795365D+01 -0.923577D+00  0.759418D+00 -0.115185D+01
      3   0.687157D+00 -0.923577D+00  0.747289D+00  0.414284D+00  0.272991D+00
                81            82            83            84            85 
      1   0.414284D+00  0.159330D+01  0.224708D+01 -0.487811D+00  0.116241D+01
      2   0.272991D+00  0.224708D+01  0.331005D+01 -0.687845D+00  0.258101D+01
      3  -0.220664D+00 -0.487811D+00 -0.687845D+00  0.386974D+00 -0.453133D+00
                86            87            88            89            90 
      1   0.258101D+01 -0.453133D+00 -0.231912D+00 -0.538636D+00  0.262607D+00
      2   0.914519D+01 -0.166147D+01 -0.538636D+00 -0.192353D+01  0.399148D+00
      3  -0.166147D+01  0.103837D+01  0.262607D+00  0.399148D+00 -0.252096D+00
                91            92            93            94            95 
      1   0.197641D+02 -0.194803D+01  0.161343D+00  0.614954D+01  0.891827D+00
      2  -0.194803D+01  0.159684D+01  0.791137D+00  0.891827D+00 -0.337802D+01
      3   0.161343D+00  0.791137D+00  0.335539D+01  0.425850D+00  0.201800D+01
                96            97            98            99           100 
      1   0.425850D+00 -0.283136D+01  0.148208D+01  0.884289D+01  0.978106D+01
      2   0.201800D+01  0.148208D+01  0.166496D+01 -0.347935D-01 -0.757518D+00
      3   0.141534D+01  0.884289D+01 -0.347935D-01 -0.191353D+01 -0.213682D+01
               101           102           103           104           105 
      1  -0.757518D+00 -0.213682D+01 -0.295202D+01 -0.166400D+01 -0.112094D+00
      2  -0.168714D+01 -0.531838D+00 -0.166400D+01  0.143652D+01 -0.365124D+01
      3  -0.531838D+00 -0.255901D+01 -0.112094D+00 -0.365124D+01 -0.165089D+01
               106           107           108           109           110 
      1   0.706946D+01 -0.108560D+01 -0.591473D+01  0.660171D+01  0.380940D+01
      2  -0.108560D+01 -0.228916D+01 -0.675539D+00  0.380940D+01  0.111447D+01
      3  -0.591473D+01 -0.675539D+00  0.305935D+01 -0.109423D+01 -0.398767D+00
               111           112           113           114           115 
      1  -0.109423D+01  0.296750D+00  0.135314D+01 -0.860656D+00 -0.102806D+02
      2  -0.398767D+00  0.135314D+01  0.318235D+00 -0.918320D+00 -0.158996D+01
      3  -0.156361D+01 -0.860656D+00 -0.918320D+00 -0.755108D+00 -0.472680D+01
               116           117           118           119           120 
      1  -0.158996D+01 -0.472680D+01 -0.474000D+00  0.209537D+01 -0.642346D+00
      2  -0.187613D+01 -0.146202D+00  0.209537D+01 -0.186357D+01  0.323527D-01
      3  -0.146202D+00  0.187561D+00 -0.642346D+00  0.323527D-01 -0.118089D+01
               121           122           123           124           125 
      1   0.435743D+01 -0.233633D+01  0.187900D+00 -0.121893D+01  0.151526D+00
      2  -0.233633D+01  0.598773D+01 -0.975392D+00  0.151526D+00 -0.128624D+01
      3   0.187900D+00 -0.975392D+00  0.135719D+01 -0.149030D+01  0.106247D+01
               126           127           128           129           130 
      1  -0.149030D+01  0.941997D-01 -0.616693D+00  0.153209D+00 -0.201074D+01
      2   0.106247D+01 -0.616693D+00  0.758786D+00 -0.276783D+00  0.599977D-01
      3  -0.377832D+00  0.153209D+00 -0.276783D+00  0.126540D+01  0.596047D+00
               131           132           133           134           135 
      1   0.599977D-01  0.596047D+00  0.264866D+00  0.853210D-01  0.213988D+00
      2  -0.404138D+01  0.226323D+01  0.853210D-01  0.158740D+01 -0.119228D+01
      3   0.226323D+01 -0.265581D+01  0.213988D+00 -0.119228D+01  0.181882D+01
               136           137           138           139           140 
      1  -0.169268D+02  0.898618D+00  0.413972D+01  0.522982D+00 -0.124256D+01
      2   0.898618D+00 -0.846691D+00 -0.329315D+00 -0.124256D+01  0.762009D-01
      3   0.413972D+01 -0.329315D+00 -0.255015D+01 -0.279995D+00  0.705941D+00
               141           142           143           144           145 
      1  -0.279995D+00  0.123568D+01  0.107974D+00 -0.126473D+01 -0.248159D+00
      2   0.705941D+00  0.107974D+00  0.722292D-01  0.985200D-01  0.813944D+00
      3   0.183302D+00 -0.126473D+01  0.985200D-01  0.393778D+00  0.757091D+00
               146           147           148           149           150 
      1   0.813944D+00  0.757091D+00  0.136988D+01  0.125285D+00 -0.252244D+00
      2   0.100285D+01  0.851094D+00  0.125285D+00  0.304166D+01  0.289046D+01
      3   0.851094D+00  0.203800D+01 -0.252244D+00  0.289046D+01  0.368013D+01
               151           152           153           154           155 
      1   0.352989D-01  0.798036D-01  0.255180D+00 -0.182461D+02 -0.475179D+01
      2   0.798036D-01  0.211192D+01  0.236905D+01 -0.475179D+01 -0.251655D+01
      3   0.255180D+00  0.236905D+01  0.450327D+01  0.327312D+00 -0.342390D+00
               156           157           158           159           160 
      1   0.327312D+00 -0.806118D+01 -0.552367D+01  0.278904D+00  0.863342D+00
      2  -0.342390D+00 -0.552367D+01 -0.392487D+01  0.307823D+00  0.502531D+00
      3  -0.232727D+01  0.278904D+00  0.307823D+00 -0.103173D+01 -0.214137D+01
               161           162           163           164           165 
      1   0.502531D+00 -0.214137D+01 -0.140347D+02 -0.293849D+01 -0.355455D+01
      2   0.106839D+01 -0.100809D+01 -0.293849D+01 -0.311099D+00  0.786553D-01
      3  -0.100809D+01  0.130209D+01 -0.355455D+01  0.786553D-01 -0.122362D+01
               166           167           168           169           170 
      1  -0.708436D+01 -0.832886D+00 -0.112338D+01  0.168596D+01  0.364206D+00
      2  -0.832886D+00 -0.857255D+00 -0.166456D+01  0.364206D+00 -0.199367D+00
      3  -0.112338D+01 -0.166456D+01 -0.203271D+01 -0.652705D+00 -0.111245D+01
               171           172           173           174           175 
      1  -0.652705D+00  0.113176D+02  0.240899D+01  0.153824D+01  0.793679D+01
      2  -0.111245D+01  0.240899D+01  0.600459D+00  0.403055D+00  0.870522D+00
      3  -0.719817D+01  0.153824D+01  0.403055D+00  0.296349D+01  0.142128D+01
               176           177           178           179           180 
      1   0.870522D+00  0.142128D+01  0.490853D+01  0.515519D+00  0.203763D+01
      2   0.380533D+00 -0.577479D+00  0.515519D+00 -0.105838D+01  0.564235D+00
      3  -0.577479D+00  0.153715D+01  0.203763D+01  0.564235D+00 -0.135657D+01
               181           182           183           184           185 
      1   0.111599D+02 -0.187190D+01  0.623914D-01 -0.941380D+01  0.198802D+01
      2  -0.187190D+01  0.119192D+02 -0.200919D+01  0.198802D+01  0.250490D+01
      3   0.623914D-01 -0.200919D+01  0.282001D+01  0.945520D+00 -0.168420D+01
               186           187           188           189           190 
      1   0.945520D+00  0.152889D+01  0.361347D+00  0.463601D+01  0.323458D+02
      2  -0.168420D+01  0.361347D+00 -0.279246D+01 -0.350654D+01 -0.547077D+01
      3  -0.156713D+01  0.463601D+01 -0.350654D+01  0.847012D+00 -0.239781D+00
               191           192           193           194           195 
      1  -0.547077D+01 -0.239781D+00 -0.214990D+02  0.229470D+01  0.212396D+01
      2   0.633912D+01 -0.189679D+00  0.229470D+01 -0.141947D+02  0.204514D+01
      3  -0.189679D+00  0.412690D+01  0.212396D+01  0.204514D+01 -0.168725D+01
               196           197           198           199           200 
      1   0.262991D+01  0.108780D+01  0.658205D+01 -0.383761D+02  0.918837D+01
      2   0.108780D+01  0.156016D+01 -0.203673D+01  0.918837D+01 -0.842952D+01
      3   0.658205D+01 -0.203673D+01 -0.212197D+00  0.678564D+00  0.133129D+01
               201           202           203           204           205 
      1   0.678564D+00  0.258680D+02 -0.317858D+01 -0.714688D+00 -0.190340D+01
      2   0.133129D+01 -0.317858D+01  0.737909D+01  0.267310D-03  0.357014D+00
      3  -0.122360D+00 -0.714688D+00  0.267310D-03  0.283407D+01  0.750108D+00
               206           207           208           209           210 
      1   0.357014D+00  0.750108D+00 -0.501692D+01 -0.124534D+00  0.327448D+00
      2   0.550197D+00  0.337276D+01 -0.124534D+00 -0.304942D+01  0.414147D+00
      3   0.337276D+01 -0.200995D+01  0.327448D+00  0.414147D+00 -0.836780D+00
               211           212           213           214           215 
      1   0.133931D+01  0.209152D+01 -0.313077D+00  0.154139D+00 -0.379655D+00
      2   0.209152D+01 -0.181431D+01  0.368198D+00 -0.379655D+00  0.380879D+00
      3  -0.313077D+00  0.368198D+00  0.136771D+01  0.216663D+00 -0.531664D+00
               216           217           218           219           220 
      1   0.216663D+00 -0.355536D+00  0.246011D+01 -0.451669D+00  0.210162D+01
      2  -0.531664D+00  0.246011D+01  0.260575D+01 -0.700129D+00 -0.184639D+01
      3  -0.598154D-01 -0.451669D+00 -0.700129D+00  0.158054D+01 -0.667407D+00
               221           222           223           224           225 
      1  -0.184639D+01 -0.667407D+00 -0.660574D+00 -0.529480D+00 -0.192044D+01
      2   0.488498D+00 -0.193255D+01 -0.529480D+00 -0.184165D+01 -0.371159D+01
      3  -0.193255D+01 -0.582011D+01 -0.192044D+01 -0.371159D+01  0.277523D+01
               226           227           228           229           230 
      1  -0.114796D+01 -0.182837D+01  0.420651D+00 -0.549381D+00 -0.203463D+01
      2  -0.182837D+01 -0.335585D+01  0.686196D+00 -0.203463D+01 -0.880971D+01
      3   0.420651D+00  0.686196D+00 -0.403738D+00  0.406205D+00  0.159855D+01
               231           232           233           234           235 
      1   0.406205D+00  0.227944D+00  0.519964D+00  0.116875D+00  0.495450D+01
      2   0.159855D+01  0.519964D+00  0.175705D+01 -0.532549D+00 -0.403348D+01
      3  -0.105851D+01  0.116875D+00 -0.532549D+00  0.283691D+00  0.403236D+00
               236           237           238           239           240 
      1  -0.403348D+01  0.403236D+00 -0.461034D+01  0.550657D+01 -0.828202D+00
      2   0.416372D+01 -0.418823D+00  0.550657D+01 -0.830459D+01  0.993240D+00
      3  -0.418823D+00  0.487400D+00 -0.828202D+00  0.993240D+00 -0.862149D+00
               241           242           243           244           245 
      1   0.453683D+00 -0.792178D+00 -0.289976D+00  0.304249D+01  0.250352D+01
      2  -0.792178D+00  0.116499D+01 -0.279824D+00  0.250352D+01  0.142537D+01
      3  -0.289976D+00 -0.279824D+00  0.228203D+00 -0.641474D+00 -0.387865D+00
               246           247           248           249           250 
      1  -0.641474D+00  0.392937D+01  0.315150D+01 -0.796831D+00 -0.922862D+00
      2  -0.387865D+00  0.315150D+01  0.513884D+01 -0.107246D+01 -0.756022D+00
      3   0.267413D+00 -0.796831D+00 -0.107246D+01  0.690401D+00  0.156316D+00
               251           252           253           254           255 
      1  -0.756022D+00  0.156316D+00 -0.117230D+01 -0.435468D+00 -0.393553D+00
      2  -0.107123D+01  0.117292D+00 -0.435468D+00 -0.165252D+00  0.116766D+00
      3   0.117292D+00 -0.806471D-01 -0.393553D+00  0.116766D+00 -0.116311D+01
               256           257           258           259           260 
      1   0.777417D+00  0.145609D+01 -0.105295D+01 -0.396161D+01 -0.141256D+01
      2   0.145609D+01  0.133036D+01 -0.152546D+01 -0.141256D+01 -0.134310D+01
      3  -0.105295D+01 -0.152546D+01  0.257557D+01  0.326248D+01  0.231028D+01
               261           262           263           264           265 
      1   0.326248D+01  0.161619D+02 -0.111149D+01 -0.720385D+00 -0.383111D+01
      2   0.231028D+01 -0.111149D+01  0.908972D+00  0.119096D+00  0.147351D+01
      3  -0.676596D+01 -0.720385D+00  0.119096D+00  0.108147D+01  0.268120D+00
               266           267           268           269           270 
      1   0.147351D+01  0.268120D+00 -0.216754D+00  0.110002D+00  0.155825D+01
      2  -0.771789D+00  0.540919D-01  0.110002D+00  0.149763D+00  0.153217D+00
      3   0.540919D-01 -0.173794D+00  0.155825D+01  0.153217D+00 -0.327379D+00
               271           272           273           274           275 
      1  -0.418394D+00  0.323956D-01  0.835512D+00  0.267300D+01  0.288068D+01
      2   0.323956D-01  0.430034D-01 -0.142674D-01  0.288068D+01  0.347273D+01
      3   0.835512D+00 -0.142674D-01 -0.608852D+00  0.145999D+01  0.234128D+01
               276           277           278           279 
      1   0.145999D+01  0.424911D+01  0.205997D+01  0.220096D+01
      2   0.234128D+01  0.205997D+01  0.238305D+01  0.250631D+01
      3   0.260080D+01  0.220096D+01  0.250631D+01  0.334898D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.318302D+01  0.206639D+01 -0.124146D+01  0.346211D+01 -0.203225D+01
      2   0.789859D+01  0.412773D+01 -0.444362D+00  0.781062D+01 -0.514533D+01
      3   0.510603D+01  0.241777D+02 -0.516511D+01  0.272298D+02 -0.255928D+02
                 6             7             8             9            10 
      1   0.387381D+00 -0.617077D+01  0.825741D+01 -0.129931D+01 -0.100966D+01
      2   0.270002D+01 -0.211267D+02  0.474699D+01 -0.640272D-01 -0.672977D+01
      3   0.295091D+01 -0.818084D+00  0.171493D+01  0.462501D+00  0.271693D+02
                11            12            13            14            15 
      1   0.310351D+01 -0.108545D+01 -0.959637D+00  0.873493D+00  0.113607D+01
      2   0.455115D+01 -0.705412D+01  0.111330D+01 -0.428219D+01  0.267172D+00
      3   0.195555D+02 -0.407137D+01  0.572672D+02 -0.332806D+02  0.282689D+01
                16            17            18            19            20 
      1  -0.720763D+01  0.859947D+01 -0.148725D+01 -0.379799D+01 -0.790112D+00
      2  -0.217985D+02  0.450572D+01  0.989873D+00 -0.936406D+01 -0.337429D+01
      3  -0.827096D+01  0.347402D+01 -0.314111D+00 -0.583605D+00 -0.262194D+02
                21            22            23            24            25 
      1   0.581686D+00 -0.410279D+00  0.208476D+00 -0.170537D+01 -0.859843D+01
      2   0.701085D+00  0.286906D+01  0.177222D+01  0.131339D+01 -0.183900D+02
      3   0.535466D+01 -0.549311D+01  0.524564D+01 -0.206074D+01  0.636561D+01
                26            27            28            29            30 
      1   0.450698D+01 -0.115400D+01  0.612082D+00  0.164065D+01  0.630016D+00
      2   0.830124D+01 -0.911050D+00  0.769037D+01  0.208063D+01  0.975842D+00
      3  -0.212143D+01 -0.803428D+00 -0.264928D+02  0.130828D+02 -0.170373D+01
                31            32            33            34            35 
      1   0.594370D+01  0.387933D+01  0.171783D+01  0.394795D+01  0.136363D+02
      2  -0.201407D+00  0.590691D+00  0.448448D+00 -0.154258D+02  0.775991D+00
      3   0.313475D+02 -0.153141D+01 -0.147303D+01 -0.109838D+01 -0.290562D+01
                36            37            38            39            40 
      1  -0.237479D+01  0.124097D+00 -0.200538D+00  0.676108D+01  0.118745D+01
      2   0.933476D+00 -0.384491D+01 -0.129225D+01  0.641722D+00 -0.332881D+01
      3  -0.232319D+01 -0.857071D+01 -0.380661D+01  0.906622D-01  0.139256D+02
                41            42            43            44            45 
      1  -0.113908D+01 -0.339744D+01  0.170547D+02  0.114927D+01 -0.439972D+00
      2  -0.362539D+01 -0.207685D+01 -0.971083D+01 -0.681368D+01  0.250857D+01
      3  -0.733852D+01  0.379588D+00 -0.456325D+01  0.192069D+01 -0.545854D+01
                46            47            48            49            50 
      1  -0.968856D+00 -0.197355D+01 -0.671317D+01 -0.253721D+01  0.654388D+00
      2   0.419069D+01 -0.318855D+01  0.232000D+01 -0.602099D+01  0.558545D+01
      3   0.232838D+02 -0.220994D+02  0.339820D+01 -0.100109D+02  0.251158D+02
                51            52            53            54            55 
      1  -0.280163D+01 -0.107689D+02 -0.241772D+01  0.344385D+01  0.171729D+01
      2  -0.964887D+00 -0.153553D+02  0.112129D+01  0.155109D+01  0.534817D+01
      3  -0.291201D+01  0.418225D+01 -0.246998D+01  0.542423D+01  0.325184D+02
                56            57            58            59            60 
      1  -0.412104D+01 -0.667521D+01 -0.234742D+01  0.133694D+01 -0.237468D+01
      2  -0.397390D+01 -0.501858D+01 -0.550686D+01  0.413614D+01 -0.203059D+01
      3  -0.105511D+02  0.240555D+01 -0.679784D+01  0.263617D+02 -0.175518D+01
                61            62            63            64            65 
      1  -0.110287D+02 -0.176871D+01  0.249120D+01 -0.249753D+00 -0.516370D+00
      2  -0.215090D+02 -0.219384D+01  0.551274D+01  0.109227D+01  0.795942D+00
      3   0.478078D+01 -0.128502D+01  0.128158D+02  0.180964D+01 -0.128327D+00
                66            67            68            69            70 
      1  -0.163521D+01 -0.764293D+00 -0.151347D+01 -0.279026D+01 -0.719945D+00
      2   0.566371D+00  0.104340D+01  0.675888D-02  0.186791D+01 -0.271123D+01
      3   0.317960D-01  0.324192D+01 -0.528632D+01  0.841477D+00 -0.703152D-01
                71            72            73            74            75 
      1   0.220584D+01  0.328345D+00 -0.302152D+00  0.209795D+00  0.202671D+01
      2  -0.758413D+00 -0.540943D-03 -0.772101D+00 -0.166813D+00  0.137415D+01
      3   0.772724D+00  0.546258D+00 -0.840151D+01  0.149702D+01  0.143585D-01
                76            77            78            79            80 
      1  -0.113432D+01  0.873926D+00 -0.393140D+01 -0.303937D+01  0.179830D+01
      2  -0.501025D+00  0.745548D+00 -0.240128D+01 -0.181524D+01  0.470898D-01
      3   0.393035D+01  0.149469D+01  0.385622D+00  0.434666D+00 -0.446109D+00
                81            82            83            84            85 
      1   0.512461D+00  0.818816D+00  0.586418D+00 -0.194515D+01  0.653710D+00
      2   0.517890D+00  0.965259D+00  0.481854D+00  0.101788D+01  0.660370D+00
      3   0.113826D+01  0.713274D+01  0.325401D+01 -0.121893D+01  0.545070D+01
                86            87            88            89            90 
      1   0.144657D+01 -0.457213D+01  0.859900D+00  0.219364D+01  0.381753D+00
      2   0.758966D+00  0.138952D+01 -0.118928D+01  0.782584D+00 -0.694821D+00
      3   0.405469D+01 -0.124988D+01 -0.105710D+01 -0.152755D+01 -0.580994D+00
                91            92            93            94            95 
      1   0.322106D+01  0.100531D+01 -0.194653D+01  0.578003D+01 -0.854548D+00
      2  -0.808168D+01 -0.228964D+01 -0.782238D+01 -0.299074D+01 -0.930692D+01
      3   0.154949D+02 -0.136500D+01  0.286423D+01  0.236481D+02 -0.192631D+02
                96            97            98            99           100 
      1  -0.243352D+01 -0.295428D+01  0.532753D+01  0.151821D+01  0.166589D+01
      2  -0.312613D+01 -0.373847D+02 -0.188768D+00  0.427551D+01 -0.127671D+02
      3   0.869678D+01  0.120666D+01  0.113584D+02  0.897640D+01  0.140073D+01
               101           102           103           104           105 
      1  -0.647324D+01  0.498626D+00 -0.271568D+01  0.439357D+01 -0.117622D+02
      2   0.216933D+01  0.185460D+02 -0.501021D+00  0.194558D+02  0.687398D+01
      3  -0.144103D+02 -0.135616D+01 -0.962895D+01  0.884876D+01 -0.161944D+02
               106           107           108           109           110 
      1   0.349079D+01 -0.608039D+01 -0.564616D+01 -0.534781D+01  0.120882D+01
      2   0.187535D+02  0.274459D+01 -0.517432D+01  0.143449D+02  0.499932D+01
      3   0.620304D+01 -0.150572D+02 -0.797184D+01 -0.583746D+01  0.101568D+02
               111           112           113           114           115 
      1   0.102876D+02 -0.119273D+02 -0.692309D+01 -0.861301D+01  0.977983D+01
      2   0.395439D+01  0.669480D+01  0.423293D+01 -0.936485D+01  0.960904D+01
      3  -0.723730D+01  0.839105D+01  0.172751D+02 -0.208566D+01 -0.190961D+02
               116           117           118           119           120 
      1  -0.523828D-01  0.634349D+01  0.121809D+01 -0.111089D+01  0.104005D+01
      2  -0.179640D+01  0.205760D+01  0.282154D+01 -0.104757D+01  0.515528D+01
      3  -0.713203D+01 -0.554425D+01  0.943502D+01 -0.658898D+01 -0.169206D+00
               121           122           123           124           125 
      1  -0.129643D+01  0.252641D+01 -0.305587D+01  0.100742D+01 -0.388344D+00
      2  -0.174810D+01  0.475463D+01 -0.507163D+01  0.292955D+01 -0.348993D+01
      3  -0.113176D+01  0.211853D+02 -0.385951D+01 -0.100187D+01 -0.521431D+01
               126           127           128           129           130 
      1   0.508753D+00 -0.263907D+01  0.278038D+01 -0.464503D+00  0.103477D+01
      2   0.164243D+01 -0.297631D+01  0.297915D+01 -0.458891D+01  0.277294D+01
      3   0.228369D+01 -0.502947D+01  0.400940D+01 -0.122521D+01  0.349665D+01
               131           132           133           134           135 
      1  -0.110430D+02  0.355911D+01  0.129112D-01  0.518875D+01 -0.265208D+01
      2  -0.103179D+02  0.919104D+01 -0.187997D+01  0.441303D+01 -0.724457D+01
      3  -0.172196D+02  0.941418D+01  0.488218D+00  0.600171D+01 -0.491676D+01
               136           137           138           139           140 
      1  -0.163229D+01 -0.265338D+01  0.853914D+00 -0.242416D+01 -0.786229D+00
      2   0.113900D+02  0.422544D-01  0.777215D+01  0.215819D+00 -0.797808D+00
      3  -0.551924D+01 -0.607914D+01  0.769052D+00 -0.374867D+01 -0.726505D+00
               141           142           143           144           145 
      1   0.352555D+00 -0.162788D+00  0.139392D+01  0.209893D-01  0.187852D+01
      2  -0.100641D+00  0.165468D+01  0.460747D+00  0.772100D+00 -0.491302D+01
      3   0.244157D+01 -0.896226D+00  0.289489D+01 -0.577004D+00  0.348760D+01
               146           147           148           149           150 
      1   0.313704D+01  0.213226D+00  0.179878D+01  0.595407D+01  0.244665D+01
      2  -0.481265D+01 -0.857283D+01 -0.299034D+01 -0.121338D+02 -0.136542D+02
      3   0.451835D+01  0.327298D+01  0.355504D+01  0.110897D+02  0.103619D+02
               151           152           153           154           155 
      1  -0.187858D+00  0.521160D+01  0.248416D+01  0.456969D+01  0.813373D+00
      2  -0.429069D+01 -0.963481D+01 -0.172167D+02 -0.109907D+02 -0.121194D+01
      3  -0.707964D-01  0.782899D+01  0.893127D+01 -0.910090D+01 -0.217436D+02
               156           157           158           159           160 
      1  -0.604087D+01  0.809879D+01  0.448453D+01 -0.325110D+01 -0.326986D+01
      2   0.198780D+02 -0.590505D+00 -0.451232D+01  0.113032D+02  0.493609D+01
      3  -0.396098D+00 -0.186884D+02 -0.236813D+02  0.282627D+00  0.405747D+01
               161           162           163           164           165 
      1   0.145161D+01  0.129230D+01  0.665952D+01  0.296864D+01 -0.322948D+01
      2   0.328132D+01 -0.825806D+01 -0.147022D+02 -0.552208D+01  0.312969D+01
      3   0.453190D+01 -0.263761D+01 -0.952081D+01 -0.382216D+01  0.699947D+00
               166           167           168           169           170 
      1   0.892240D+01  0.463491D+01  0.239735D+01 -0.174936D+01  0.741697D+01
      2  -0.995105D+01  0.488655D+01  0.853909D+01 -0.220543D+01  0.369523D+01
      3  -0.108406D+01 -0.457802D+01 -0.933763D+01  0.670773D+01 -0.210295D+01
               171           172           173           174           175 
      1  -0.289701D+01 -0.799775D+01 -0.356699D+01  0.451712D+00 -0.993500D+01
      2   0.240408D+02  0.235735D+02  0.407711D+01 -0.793047D+01  0.936828D+01
      3  -0.325110D+01  0.273837D+01  0.242284D+01  0.233602D+01  0.913270D+01
               176           177           178           179           180 
      1  -0.302353D+01 -0.192446D+01  0.115577D+00 -0.230224D+00 -0.706613D+00
      2   0.394063D+01 -0.435248D+01 -0.317076D+01 -0.111738D+01  0.587754D+01
      3   0.863846D+00  0.523104D+00  0.202291D+01  0.867343D+00  0.789942D+00
               181           182           183           184           185 
      1  -0.658371D+00  0.254755D+01  0.696710D+01  0.272659D+01 -0.136416D+01
      2  -0.698872D+01 -0.199531D+01  0.793901D+01 -0.107184D+01 -0.850080D+01
      3  -0.311759D+02 -0.151678D+02  0.296880D+01 -0.113657D+02 -0.284271D+02
               186           187           188           189           190 
      1  -0.288716D+01  0.160489D+02  0.324421D+01 -0.266925D+01 -0.101828D+01
      2  -0.279871D+01 -0.174676D+01 -0.116646D+02  0.145330D+01 -0.379882D+01
      3   0.676251D+01  0.346580D+01  0.841541D+01 -0.229438D+01  0.103644D+02
               191           192           193           194           195 
      1   0.348843D+01 -0.474839D+00  0.348217D+01  0.259190D+01  0.403357D+01
      2   0.475996D+01  0.154432D+01  0.141067D+02  0.173028D+01 -0.370969D+01
      3   0.210334D+02 -0.471098D+01  0.542912D+02  0.194942D+02 -0.616960D+01
               196           197           198           199           200 
      1  -0.423205D+01  0.152847D+02 -0.353294D+01  0.273847D+00 -0.212627D+01
      2  -0.646556D+00 -0.524425D+01  0.956758D+00  0.295674D+01 -0.221629D+01
      3  -0.106194D+02 -0.445659D+01  0.566083D+01 -0.199505D+02 -0.128385D+02
               201           202           203           204           205 
      1   0.335177D+00 -0.208993D+01  0.114750D+01 -0.397662D+01 -0.372966D+01
      2   0.440809D+01 -0.849155D+01  0.456629D+01  0.610750D+01 -0.167619D+02
      3   0.245287D+01 -0.490904D+01 -0.553880D+00 -0.174724D+01  0.569822D+01
               206           207           208           209           210 
      1   0.387144D+01  0.534327D+00  0.110433D+01 -0.324589D+01  0.794857D+00
      2   0.147870D+02 -0.487478D+01  0.312748D+01 -0.553240D+01  0.117404D+02
      3  -0.335714D+01 -0.615342D+01  0.106331D+02 -0.411297D+02  0.504144D+01
               211           212           213           214           215 
      1   0.243556D+00 -0.109112D+01 -0.636861D+01  0.271979D+01 -0.156384D+01
      2  -0.141566D+01  0.266463D+01  0.838302D+01 -0.689427D+01 -0.332666D+01
      3  -0.284599D+01  0.111853D+02 -0.281393D+01  0.972034D+00  0.176024D+01
               216           217           218           219           220 
      1   0.130172D+01 -0.145136D+01  0.464118D+00 -0.145139D+01  0.324590D+01
      2  -0.103255D+01 -0.712709D+01 -0.142855D+01  0.819318D+01 -0.315113D+01
      3   0.140942D+01 -0.378793D+02 -0.253798D+01  0.404271D+01  0.109796D+02
               221           222           223           224           225 
      1   0.399837D+01  0.627858D+01  0.131004D+02  0.718633D+01 -0.184867D+01
      2  -0.757015D+01 -0.358809D+02 -0.978677D+01 -0.225883D+02  0.173733D+02
      3   0.205645D+02  0.785828D+01  0.404874D+01  0.631125D+01  0.289963D+02
               226           227           228           229           230 
      1   0.217480D+00 -0.293065D+00 -0.190304D+01 -0.129505D-01 -0.769927D+00
      2   0.193785D+01  0.189746D+01  0.100325D+00  0.140964D+01  0.378626D+01
      3   0.918272D+01  0.804134D+01 -0.211740D+01  0.682161D+01  0.186001D+02
               231           232           233           234           235 
      1  -0.412692D+01  0.113766D+01  0.221521D+01  0.350720D+00 -0.827725D+00
      2  -0.512471D+00 -0.238152D+00 -0.109683D+01 -0.630622D-01 -0.921854D+00
      3  -0.379634D+01 -0.204964D+01 -0.402495D+01  0.232431D+00 -0.847570D-01
               236           237           238           239           240 
      1   0.858223D+00  0.212310D+01 -0.226907D+00 -0.833207D+00 -0.369084D+01
      2   0.246343D-01  0.248128D+01 -0.111263D+01  0.129858D+01 -0.369467D+01
      3  -0.595251D+01  0.590312D+00 -0.612219D+01  0.166711D+02 -0.147462D+01
               241           242           243           244           245 
      1  -0.309793D+01  0.154196D+01  0.545187D+00  0.274132D+00 -0.502742D-01
      2  -0.271063D+01 -0.880366D+00  0.114440D+01 -0.667420D+00 -0.836724D+00
      3   0.198483D+01 -0.235766D+01  0.162407D+01 -0.391763D+00 -0.265367D+01
               246           247           248           249           250 
      1  -0.107926D+01  0.196978D+00 -0.287375D+00 -0.276665D+01 -0.426546D+00
      2   0.980718D+00 -0.106044D+01 -0.284820D+01  0.264671D+01 -0.153989D+01
      3   0.443181D+00 -0.102133D+01 -0.132506D+02  0.240077D+01  0.584033D+00
               251           252           253           254           255 
      1   0.144810D+01  0.372843D+00 -0.505625D+00  0.625359D+00  0.161165D+01
      2  -0.894782D+00  0.353469D-01 -0.532561D+01  0.996186D+00 -0.605229D+01
      3   0.284830D+01  0.240291D+00  0.122055D+01  0.302620D+01 -0.273445D+01
               256           257           258           259           260 
      1  -0.128299D+00 -0.214615D+00 -0.226366D+01 -0.296901D+01  0.148652D+01
      2  -0.455369D+01 -0.835924D+01  0.148395D+02  0.110609D+02  0.135480D+02
      3  -0.539350D+01 -0.127445D+02  0.104724D+02  0.560004D+01  0.113210D+02
               261           262           263           264           265 
      1   0.561408D+01  0.710131D+00 -0.571573D+00 -0.316401D+00 -0.581216D+00
      2  -0.371255D+02  0.112006D+01  0.830259D-01  0.882604D+01  0.428149D+00
      3  -0.185856D+02  0.155904D+02 -0.100138D+02 -0.936447D+00 -0.840695D+01
               266           267           268           269           270 
      1   0.116999D+00 -0.749871D+00 -0.128442D+01  0.735042D-01  0.172077D+00
      2   0.779945D+00 -0.117401D+01  0.726124D+01  0.894973D+00 -0.163265D+01
      3   0.544811D+01 -0.440219D+00 -0.926320D+00 -0.749164D+00 -0.105679D+01
               271           272           273           274           275 
      1   0.158708D+00  0.189197D+00  0.102542D+01 -0.207536D+01 -0.300516D+01
      2   0.630343D+01  0.582597D+00 -0.264749D+01  0.669473D+01  0.117078D+02
      3  -0.173905D+01  0.171668D+01  0.510513D+00 -0.118668D+02 -0.263138D+02
               276           277           278           279 
      1  -0.498029D+01 -0.396824D+01 -0.157216D+01 -0.575332D+01
      2   0.150436D+02  0.788969D+01  0.138726D+02  0.178634D+02
      3  -0.144422D+02 -0.826456D+01 -0.168141D+02 -0.170627D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.760066D+02  0.340848D+02 -0.284330D+01 -0.710548D+02  0.610682D+01
      2   0.365379D+02 -0.213496D+02  0.249287D+01  0.369525D+02  0.395612D+01
      3   0.394688D+02 -0.127352D+02  0.350439D+00  0.341023D+02 -0.100629D+02
      4   0.171542D+02  0.964368D+01 -0.220842D+01  0.123478D+02 -0.196986D+02
      5  -0.622505D+01 -0.274506D+01  0.586853D+00 -0.559936D+01  0.651294D+01
      6   0.426874D+01  0.518488D+00  0.278090D+01  0.386081D+01 -0.497775D+01
                 6             7             8             9            10 
      1   0.189974D+01  0.178915D+02 -0.485635D+01 -0.947615D+01  0.114856D+03
      2  -0.374207D+01 -0.757247D+01  0.194642D+01 -0.109750D+01 -0.527981D+02
      3   0.184233D+01 -0.103190D+02  0.290993D+01  0.105736D+02 -0.620582D+02
      4   0.363876D+01 -0.321949D+01  0.299867D+01 -0.491372D+00  0.447138D+01
      5   0.373117D+01  0.994015D+00 -0.892563D+00 -0.619956D-01  0.687737D+00
      6  -0.151414D+00  0.211012D+01  0.412740D+01  0.101879D+01 -0.805857D+01
                11            12            13            14            15 
      1  -0.786675D+01 -0.731230D+01  0.541872D+02 -0.272276D+02  0.805800D+00
      2   0.297050D+01  0.292956D+01 -0.180664D+02  0.193980D+02 -0.373280D+01
      3   0.489625D+01  0.438275D+01 -0.361207D+02  0.782964D+01  0.292700D+01
      4   0.117902D+02 -0.487642D+01 -0.263876D+02  0.171834D+02 -0.103836D+01
      5  -0.692470D+01 -0.122618D+02  0.873792D+01 -0.271224D+01 -0.755416D+00
      6   0.307869D+01  0.122906D+01 -0.404219D+01 -0.436538D+00 -0.233354D+01
                16            17            18            19            20 
      1  -0.176191D+02  0.490721D+01 -0.532146D+01  0.443170D+02 -0.428059D+02
      2   0.773805D+01 -0.311130D+01 -0.230136D+01 -0.198462D+02  0.298961D+02
      3   0.988103D+01 -0.179591D+01  0.762281D+01 -0.244708D+02  0.129098D+02
      4   0.592343D+01 -0.218874D+01  0.537241D+01 -0.219349D+02 -0.122174D+02
      5   0.814695D+00  0.476005D+01  0.693670D+00  0.912763D+01  0.352329D+01
      6   0.573330D+01  0.433152D+01  0.166633D+01 -0.412788D+01  0.423485D+00
                21            22            23            24            25 
      1   0.473338D+01  0.497065D+01  0.333628D+02 -0.454444D+01 -0.430288D+01
      2  -0.362738D+01 -0.215074D+02 -0.322214D+02  0.649515D+01  0.749184D+01
      3  -0.110600D+01  0.165368D+02 -0.114142D+01 -0.195071D+01 -0.318896D+01
      4   0.251638D+01  0.158288D+02 -0.259922D+01  0.346856D+01 -0.195290D+01
      5  -0.351986D+01 -0.701098D+01  0.370189D+01  0.845308D+01  0.483169D+01
      6   0.494720D+00  0.107760D+02  0.518481D+01  0.235339D+01  0.306563D+01
                26            27            28            29            30 
      1  -0.209543D+01 -0.712929D+01  0.979384D+01  0.682601D+00  0.378898D+01
      2   0.555238D+01 -0.685840D+01 -0.277226D+02 -0.319766D+01 -0.107140D+01
      3  -0.345695D+01  0.139877D+02  0.179287D+02  0.251506D+01 -0.271758D+01
      4   0.544894D+01  0.428243D+01  0.104488D+01  0.148345D+02  0.917078D+00
      5   0.913424D+01 -0.259774D+01 -0.140299D+02  0.263839D+01  0.110399D+02
      6   0.393236D+01 -0.373256D+00  0.127141D+02 -0.176813D+01 -0.310665D+01
                31            32            33            34            35 
      1   0.206367D+02 -0.627008D+02  0.690993D+01 -0.579282D+01  0.101665D+02
      2  -0.787617D+01  0.581122D+02 -0.114971D+02  0.416701D+00 -0.108436D+02
      3  -0.127606D+02  0.458862D+01  0.458720D+01  0.537612D+01  0.677129D+00
      4  -0.372730D+02 -0.113215D+02  0.424811D+01  0.143032D+02  0.330154D+01
      5   0.112714D+02  0.485179D+01 -0.120426D+01  0.338909D+02 -0.584420D+01
      6  -0.195903D+01 -0.513653D+01 -0.297426D+01 -0.723708D+01  0.625540D+01
                36            37            38            39            40 
      1  -0.753620D-01 -0.707402D+01  0.723160D+02 -0.137299D+02 -0.218616D+02
      2  -0.820888D+01  0.164767D+01 -0.551147D+02  0.689587D+01  0.254846D+02
      3   0.828424D+01  0.542636D+01 -0.172013D+02  0.683398D+01 -0.362302D+01
      4  -0.658944D+00  0.195833D+02 -0.140440D+02 -0.584782D+00  0.169272D+02
      5   0.120000D+00 -0.274364D+01 -0.387760D+01  0.210037D+01  0.410044D+01
      6   0.545684D+01 -0.438902D+01  0.309472D+01 -0.134485D+02 -0.114180D+02
                41            42            43            44            45 
      1   0.229601D+02 -0.776109D+01  0.687295D+01 -0.142238D+02 -0.138630D+02
      2  -0.270841D+02  0.727138D+01 -0.104909D+02  0.156337D+02  0.353840D+01
      3   0.412398D+01  0.489707D+00  0.361792D+01 -0.140998D+01  0.103246D+02
      4   0.165607D+02 -0.771154D+01  0.919519D+00 -0.562476D+01 -0.697196D+01
      5  -0.886185D+01 -0.841073D+01  0.199818D+02 -0.832017D+01  0.373501D+01
      6   0.875334D+01  0.646680D+01 -0.189564D+02  0.177443D+02  0.640958D+00
                46            47            48            49            50 
      1   0.424405D+01 -0.565178D+02  0.808476D+01  0.299640D+02  0.183722D+01
      2  -0.412226D+01  0.439317D+02 -0.238943D+01 -0.263303D+02 -0.861504D+01
      3  -0.121793D+00  0.125862D+02 -0.569533D+01 -0.363368D+01  0.677782D+01
      4  -0.149013D+02 -0.788418D+01  0.419395D+01  0.960408D+01 -0.119256D+02
      5   0.429852D+01  0.618388D+01  0.620958D+00 -0.216266D+01  0.251101D+01
      6   0.449689D+01  0.150300D+01  0.119978D+02  0.331878D+01  0.108210D+02
                51            52            53            54            55 
      1  -0.695899D+01 -0.580616D+01 -0.140385D+01 -0.230832D+02 -0.221097D+02
      2   0.817596D+01  0.664155D+01  0.876841D+01  0.995051D+01  0.893180D+01
      3  -0.121697D+01 -0.835391D+00 -0.736456D+01  0.131327D+02  0.131779D+02
      4   0.369223D+01  0.158162D+01  0.643660D+01  0.570163D+01  0.906427D+01
      5   0.924028D+00  0.487038D+01  0.212942D+01  0.405314D+00 -0.360389D+01
      6   0.553437D+01  0.332683D+01  0.224137D+02 -0.589155D+01  0.333341D+01
                56            57            58            59            60 
      1  -0.382486D+02  0.604837D+01  0.111298D+02  0.136649D+02 -0.840767D+01
      2   0.328936D+02 -0.208408D+00 -0.126717D+02 -0.149792D+02  0.862092D+01
      3   0.535500D+01 -0.583996D+01  0.154191D+01  0.131427D+01 -0.213251D+00
      4  -0.511971D+02  0.768561D+01  0.117704D+02 -0.722718D+01 -0.285957D+00
      5   0.113199D+02 -0.122910D+02 -0.268095D+01 -0.159349D+01 -0.104860D+01
      6  -0.189974D+01  0.134763D+02  0.377423D+01  0.967014D+01  0.420401D+01
                61            62            63            64            65 
      1  -0.209371D+01 -0.515040D+01 -0.278646D+02  0.347967D+01 -0.113256D+01
      2   0.485658D+01  0.114666D+02  0.962409D+01 -0.470308D+00  0.238962D+01
      3  -0.276287D+01 -0.631618D+01  0.182405D+02 -0.300936D+01 -0.125706D+01
      4  -0.305242D+01  0.350235D+01 -0.636989D+01  0.972292D+01  0.102854D+02
      5  -0.208405D+01 -0.109342D+02  0.730608D+01 -0.288816D+01 -0.223551D+01
      6   0.483789D+01  0.193079D+02 -0.716396D+01 -0.185258D+01 -0.146908D+01
                66            67            68            69            70 
      1   0.183927D+00 -0.436137D+01 -0.146737D+02  0.327995D+01 -0.612414D-01
      2   0.205163D+00  0.655856D+01  0.174616D+02 -0.164115D+01  0.167523D+00
      3  -0.389091D+00 -0.219719D+01 -0.278788D+01 -0.163880D+01 -0.106282D+00
      4  -0.172564D+01  0.139821D+02  0.185606D+02 -0.334819D+01 -0.308951D+01
      5   0.294131D+01 -0.351373D+01 -0.352110D+01  0.354459D+01  0.146389D+01
      6   0.137836D+01 -0.319513D+01 -0.601855D+01  0.497283D+01  0.219223D+01
                71            72            73            74            75 
      1   0.195284D+01 -0.293604D+01 -0.108608D+01  0.691779D+01 -0.802398D+00
      2  -0.177136D+01  0.241323D+01  0.106962D+02 -0.162465D+02  0.150402D+01
      3  -0.181488D+00  0.522808D+00 -0.961016D+01  0.932873D+01 -0.701624D+00
      4  -0.346314D+01  0.234185D+01 -0.226213D+02  0.227673D+02 -0.235077D+01
      5   0.873890D+00 -0.134638D+01  0.192339D+01 -0.241750D+01  0.297241D+01
      6   0.311273D+01 -0.207246D+01 -0.110884D+01  0.156134D+01 -0.255229D+01
                76            77            78            79            80 
      1   0.125700D+02 -0.296955D+02  0.358171D+01 -0.248144D+01  0.458005D+01
      2  -0.238205D+02  0.479090D+02 -0.453370D+01  0.444654D+01 -0.663385D+01
      3   0.112505D+02 -0.182135D+02  0.951993D+00 -0.196510D+01  0.205381D+01
      4   0.246376D+02 -0.340360D+02  0.386429D+01 -0.327020D+01  0.422167D+01
      5  -0.339471D+01  0.431906D+01 -0.352300D+01  0.116625D-01 -0.172401D+01
      6   0.381875D+01 -0.546774D+01  0.632252D+01  0.167039D+01  0.254983D+01
                81            82            83            84            85 
      1  -0.126483D+01 -0.634741D+01 -0.107189D+02  0.253155D+01 -0.100801D+02
      2   0.246786D+01  0.103776D+02  0.174625D+02 -0.290574D+01  0.142738D+02
      3  -0.120303D+01 -0.403021D+01 -0.674365D+01  0.374195D+00 -0.419366D+01
      4  -0.224338D+01  0.116334D+02  0.197225D+02 -0.348829D+01  0.123516D+02
      5   0.951805D+00 -0.134955D+01 -0.202111D+01  0.291013D+01 -0.137097D+01
      6  -0.184696D+01 -0.260983D+01 -0.415224D+01  0.319559D+01 -0.296377D+01
                86            87            88            89            90 
      1  -0.417451D+02  0.807416D+01  0.207166D+01  0.860337D+01 -0.190851D+01
      2   0.587264D+02 -0.904044D+01 -0.303494D+01 -0.109923D+02  0.250838D+01
      3  -0.169813D+02  0.966285D+00  0.963286D+00  0.238892D+01 -0.599879D+00
      4   0.276184D+02 -0.462434D+01 -0.329530D+01 -0.515970D+01  0.313565D+01
      5  -0.202519D+01  0.206067D+01  0.887250D+00  0.289370D+01 -0.141938D+01
      6  -0.112652D+02  0.850758D+01  0.959159D+00  0.423379D+01 -0.261271D+01
                91            92            93            94            95 
      1  -0.765818D+01  0.208182D+01 -0.159679D+02 -0.680765D+01 -0.269935D+01
      2   0.148476D+02  0.227967D+01  0.632003D+00  0.135377D+02 -0.109073D+02
      3  -0.718937D+01 -0.436149D+01  0.153359D+02 -0.673002D+01  0.136066D+02
      4  -0.590287D+01 -0.150438D+02 -0.410552D+01 -0.174405D+02  0.370958D+02
      5   0.371346D+00 -0.502814D+01 -0.238631D+02  0.209478D+01 -0.146293D+02
      6  -0.567819D+01  0.205164D+01  0.112962D+01 -0.479962D+01  0.339350D+01
                96            97            98            99           100 
      1  -0.227943D+01 -0.149690D+01 -0.445412D+01 -0.224163D+02 -0.811314D+02
      2   0.110265D+01 -0.145505D+02  0.924916D+01  0.225816D+02  0.458817D+02
      3   0.117678D+01  0.160474D+02 -0.479503D+01 -0.165307D+00  0.352497D+02
      4  -0.166110D+02 -0.897404D+01 -0.166565D+02 -0.445551D+01  0.131831D+02
      5  -0.664357D+01 -0.694357D+02  0.153999D+01  0.183930D+02  0.435249D+02
      6   0.461349D+01  0.249120D+01 -0.117214D+01 -0.151976D+01 -0.450646D+01
               101           102           103           104           105 
      1   0.836503D+01  0.316591D+02  0.514683D+01  0.312139D+02  0.932903D+01
      2  -0.375205D+01 -0.848102D+01 -0.669228D+01 -0.520753D+01  0.436530D+00
      3  -0.461298D+01 -0.231781D+02  0.154544D+01 -0.260064D+02 -0.976556D+01
      4   0.184350D+02  0.111188D+01  0.174894D+02 -0.152461D+02  0.247572D+02
      5   0.675672D+00  0.116885D+02 -0.173557D+00  0.166362D+02  0.833303D+01
      6  -0.116776D+02 -0.320736D+01 -0.623049D+01  0.391378D+01 -0.203130D+02
               106           107           108           109           110 
      1   0.317846D+01  0.859200D+01  0.213904D+02 -0.794861D+02 -0.262343D+02
      2   0.188981D+02 -0.341195D+01 -0.239276D+02  0.297131D+02  0.445327D+01
      3  -0.220765D+02 -0.518005D+01  0.253724D+01  0.497730D+02  0.217810D+02
      4   0.238427D+01  0.200726D+02  0.459743D+01 -0.446211D+02 -0.255776D+02
      5   0.442690D+02  0.135770D+01 -0.317852D+02  0.120414D+01 -0.125384D+01
      6  -0.395000D+01 -0.143420D+02 -0.754118D+01 -0.880986D+00  0.193688D+01
               111           112           113           114           115 
      1   0.173093D+01 -0.340928D+02 -0.148678D+02  0.950187D+01  0.424591D+02
      2  -0.188885D+01  0.668828D+01  0.540699D+01 -0.416257D+00 -0.206880D+02
      3   0.157923D+00  0.274045D+02  0.946082D+01 -0.908562D+01 -0.217711D+02
      4   0.156914D+01 -0.104715D+02 -0.223920D+02  0.911333D+01  0.197683D+02
      5   0.103888D+01 -0.336022D+01  0.673426D+01 -0.325387D+01  0.294163D+02
      6  -0.388958D+01  0.375228D+01 -0.367974D+01  0.588931D+00  0.498769D+01
               116           117           118           119           120 
      1   0.776972D+01  0.267278D+02  0.772087D+01 -0.954167D+01  0.503746D+01
      2  -0.319424D+01 -0.459213D+01  0.292525D+01  0.317377D-01 -0.140906D+01
      3  -0.457548D+01 -0.221357D+02 -0.106461D+02  0.950993D+01 -0.362840D+01
      4   0.166009D+02  0.680268D+01 -0.210924D+02  0.214632D+02 -0.102576D+01
      5   0.403237D+01  0.182038D+01  0.575832D+01 -0.610850D+00  0.103229D+02
      6  -0.372190D+00 -0.924432D+00 -0.159412D+01  0.565975D+00 -0.787088D+00
               121           122           123           124           125 
      1  -0.166317D+02 -0.173564D+01 -0.642413D+00  0.658378D+01  0.176674D+01
      2   0.250881D+01  0.198823D+02 -0.308257D+01 -0.222838D+01 -0.483486D+01
      3   0.141229D+02 -0.181467D+02  0.372498D+01 -0.435540D+01  0.306812D+01
      4   0.240520D+02 -0.499399D+02  0.800053D+01 -0.311257D+01  0.115361D+02
      5  -0.193226D+01  0.728320D+01 -0.103311D+02  0.124371D+02 -0.803021D+01
      6   0.764796D+00 -0.271905D+01  0.437048D+01 -0.258885D+01  0.656440D+01
               126           127           128           129           130 
      1   0.242030D+01  0.104042D+01  0.638527D+01 -0.888866D+01  0.998765D+01
      2  -0.838887D+00 -0.444126D+00 -0.271897D+01  0.178405D+00 -0.654294D+01
      3  -0.158142D+01 -0.596295D+00 -0.366630D+01  0.871026D+01 -0.344471D+01
      4  -0.863059D+01  0.347905D+01 -0.487085D+01  0.158184D+01  0.119585D+01
      5   0.325804D+01 -0.144072D+01 -0.811755D+00 -0.462144D+01 -0.959260D+01
      6  -0.268637D+01 -0.305051D+01  0.467166D+01 -0.183797D+01  0.219044D+00
               131           132           133           134           135 
      1  -0.162714D+02  0.889260D+01 -0.357170D+01  0.546492D+01 -0.114764D+02
      2   0.574653D+01  0.343412D+01  0.991463D+00  0.159955D+01 -0.146546D+01
      3   0.105248D+02 -0.123267D+02  0.258024D+01 -0.706448D+01  0.129419D+02
      4   0.293095D+02 -0.161646D+02 -0.827001D+00 -0.109390D+02  0.823942D+01
      5  -0.121737D+02  0.168258D+02  0.211490D+01  0.652031D+01 -0.928083D+01
      6  -0.198232D+02  0.136271D+02  0.407934D+00  0.109441D+02 -0.701045D+01
               136           137           138           139           140 
      1   0.117435D+03 -0.648111D+01 -0.215654D+02 -0.483226D+01  0.651584D+01
      2  -0.711541D+02  0.304997D+01  0.198534D+02  0.143386D+01 -0.421976D+01
      3  -0.462808D+02  0.343114D+01  0.171208D+01  0.339840D+01 -0.229608D+01
      4  -0.142440D+02  0.121844D+02  0.401329D+01  0.153860D+02 -0.136978D+01
      5  -0.685711D+02  0.455342D+01  0.314249D+02  0.282586D+01 -0.718416D+01
      6   0.609654D+01 -0.428209D+01 -0.239670D+01 -0.469529D+01  0.335009D+00
               141           142           143           144           145 
      1   0.266349D-01 -0.798392D+01 -0.138470D+01  0.847874D+01 -0.622683D+00
      2  -0.124930D+00  0.862741D+01  0.658450D-01 -0.717531D+01 -0.110514D+01
      3   0.982950D-01 -0.643489D+00  0.131885D+01 -0.130343D+01  0.172783D+01
      4  -0.592180D+01 -0.655993D-01 -0.349271D+01 -0.102481D+01 -0.374675D+01
      5  -0.102389D+01  0.178950D+02 -0.321038D+00 -0.777917D+01 -0.323113D+01
      6   0.433487D+01 -0.638892D+00  0.270011D+01  0.115349D+01  0.443689D+01
               146           147           148           149           150 
      1  -0.104465D+02 -0.162359D+02 -0.851867D+01 -0.198424D+02 -0.178305D+02
      2   0.376038D+01  0.156243D+01  0.534720D+01  0.799099D+01  0.227830D+00
      3   0.668615D+01  0.146734D+02  0.317146D+01  0.118514D+02  0.176027D+02
      4  -0.510451D+01 -0.328567D+01  0.248148D+01 -0.194569D+02 -0.190131D+02
      5  -0.851892D+00 -0.655035D+01  0.720827D+01 -0.150168D+02 -0.211683D+02
      6   0.702647D+01  0.650249D+01  0.139764D+00  0.187407D+02  0.200339D+02
               151           152           153           154           155 
      1  -0.570447D+01 -0.130867D+02 -0.254237D+02  0.170452D+03  0.368939D+02
      2   0.212549D+01 -0.164447D+00 -0.356924D+01 -0.756414D+02 -0.106435D+02
      3   0.357898D+01  0.132511D+02  0.289930D+02 -0.948106D+02 -0.262504D+02
      4   0.188472D+01 -0.139326D+02 -0.149244D+02  0.634380D+02  0.439604D+02
      5   0.412588D+01 -0.128591D+02 -0.234906D+02  0.132622D+02  0.506514D+01
      6   0.588003D+00  0.154274D+02  0.182854D+02  0.324306D+00  0.966069D+00
               156           157           158           159           160 
      1  -0.390026D+01  0.496442D+02  0.343813D+02 -0.388840D+01 -0.820257D+01
      2  -0.193444D+01 -0.110081D+02 -0.260267D+01 -0.657969D+00  0.253242D+00
      3   0.583470D+01 -0.386361D+02 -0.317786D+02  0.454636D+01  0.794933D+01
      4   0.156534D+01  0.629297D+02  0.519303D+02 -0.455427D+01 -0.599161D+01
      5   0.307668D+02  0.226999D+01  0.227247D+00  0.142852D+02  0.291482D+02
      6   0.546674D+01  0.386651D+01  0.344987D+01  0.630831D+01  0.688315D+01
               161           162           163           164           165 
      1  -0.347866D+01  0.168296D+02  0.513164D+02  0.151404D+02  0.111446D+02
      2  -0.873858D+00 -0.959261D+01 -0.329812D+02 -0.567851D+01 -0.944461D+01
      3   0.435252D+01 -0.723697D+01 -0.183352D+02 -0.946192D+01 -0.169997D+01
      4  -0.975570D+01  0.110059D+02  0.278610D+02  0.119596D+02  0.187211D+01
      5   0.101904D+02 -0.757516D+01  0.302481D+02  0.333512D+01  0.187171D+02
      6   0.512301D+01 -0.450232D+00  0.108867D+02  0.194102D+01  0.889330D+00
               166           167           168           169           170 
      1   0.209110D+02 -0.492287D+01 -0.950237D+01 -0.133028D+02 -0.799274D+01
      2  -0.108292D+02  0.237580D+01  0.148749D+01  0.154460D+01  0.234857D+01
      3  -0.100819D+02  0.254707D+01  0.801488D+01  0.117582D+02  0.564417D+01
      4   0.133431D+02  0.779574D+01  0.114481D+02 -0.656653D+01  0.167778D+01
      5   0.125239D+02  0.122054D+02  0.114354D+02  0.140456D+02  0.388357D+01
      6   0.324249D+01  0.695725D+01  0.122064D+02 -0.527515D+00  0.959695D+01
               171           172           173           174           175 
      1  -0.302095D+02 -0.473780D+02 -0.882587D+01  0.102806D+02 -0.210853D+02
      2  -0.153278D+02  0.263238D+02  0.394502D+01  0.397593D+01  0.139736D+02
      3   0.455373D+02  0.210542D+02  0.488085D+01 -0.142565D+02  0.711170D+01
      4   0.197301D+01 -0.215053D+02 -0.827119D+01 -0.183163D+01 -0.111174D+02
      5   0.464913D+02 -0.218770D+02 -0.478475D+01 -0.152985D+02 -0.125086D+02
      6   0.844280D+01 -0.816174D+01 -0.443820D+01 -0.279543D+01 -0.398590D+01
               176           177           178           179           180 
      1  -0.926526D+01  0.268382D+01 -0.206722D+01  0.900146D+00 -0.123095D+02
      2   0.475472D+01  0.336001D+01  0.796094D+01  0.540988D+00  0.327522D+01
      3   0.451055D+01 -0.604383D+01 -0.589371D+01 -0.144113D+01  0.903431D+01
      4  -0.434873D+01  0.176843D+01 -0.536844D+01 -0.393326D+00 -0.393367D+01
      5   0.753267D+00 -0.921008D+01 -0.869000D+01 -0.173543D+01  0.126773D+01
      6  -0.249495D+01  0.243471D+01 -0.263705D+01  0.166911D+01 -0.230834D+01
               181           182           183           184           185 
      1   0.393757D+02  0.533821D+02 -0.116721D+02 -0.399802D+02  0.170492D+02
      2  -0.257594D+02 -0.404940D+02  0.353492D+01  0.274168D+02 -0.204034D+02
      3  -0.136163D+02 -0.128881D+02  0.813716D+01  0.125634D+02  0.335414D+01
      4   0.847829D+01  0.315296D+02 -0.673380D+01  0.111078D+02  0.239310D+02
      5   0.110593D+01 -0.976086D+01  0.160743D+02  0.286757D+01 -0.107140D+02
      6  -0.207519D+01  0.680523D+01 -0.144223D+02 -0.700922D+01  0.899535D+01
               186           187           188           189           190 
      1  -0.210718D+01  0.752432D+01 -0.951223D+01 -0.373411D-01  0.947134D+02
      2   0.431224D+01 -0.136041D+02  0.143199D+02 -0.477792D+01 -0.531516D+02
      3  -0.220507D+01  0.607982D+01 -0.480771D+01  0.481526D+01 -0.415617D+02
      4  -0.110249D+02 -0.505452D+00 -0.137586D+02 -0.210399D+02 -0.120072D+02
      5  -0.837912D+01  0.310208D+02 -0.198666D+02  0.856681D+01  0.792801D+01
      6   0.532809D+01 -0.226453D+02  0.177240D+02  0.269936D-01 -0.113223D+00
               191           192           193           194           195 
      1  -0.213000D+02 -0.111633D-01 -0.864858D+02 -0.326632D+02  0.153481D+02
      2   0.567859D+01 -0.121853D+01  0.470319D+02  0.388625D+02 -0.166522D+02
      3   0.156214D+02  0.122970D+01  0.394539D+02 -0.619929D+01  0.130410D+01
      4   0.144476D+02 -0.115133D+01 -0.377448D+02 -0.530324D+02  0.982330D+01
      5  -0.141318D+01  0.751186D+01  0.177747D+02  0.864033D+01 -0.788161D+01
      6   0.321459D+01 -0.238721D+01  0.184473D+01 -0.112463D+02 -0.502266D+01
               196           197           198           199           200 
      1   0.159929D+02  0.104860D+02  0.207434D+02 -0.115771D+03 -0.212517D+01
      2  -0.945483D+01 -0.894082D+01 -0.186202D+02  0.546675D+02  0.826111D+01
      3  -0.653810D+01 -0.154521D+01 -0.212314D+01  0.611036D+02 -0.613593D+01
      4   0.162469D+02  0.581640D+01 -0.757184D+01 -0.860187D+01 -0.220570D+02
      5   0.477666D+02 -0.134940D+02  0.168727D+01  0.282953D+01  0.961784D+01
      6  -0.433361D+01  0.781945D+01  0.350837D+01  0.754918D+01 -0.409285D+01
               201           202           203           204           205 
      1   0.763641D+01  0.113632D+03  0.558059D+01 -0.876540D+01 -0.128553D+02
      2  -0.479431D+01 -0.714952D+02 -0.158389D+02  0.881901D+01  0.103412D+02
      3  -0.284210D+01 -0.421372D+02  0.102583D+02 -0.536091D-01  0.251413D+01
      4   0.779084D+01  0.168966D+02  0.213782D+02  0.179533D+01  0.377647D+00
      5   0.554715D+01 -0.295549D+01  0.254932D+01  0.142498D+02  0.698263D+01
      6   0.167368D+01  0.380016D+01  0.964183D+01  0.683361D+01  0.305983D+01
               206           207           208           209           210 
      1  -0.661308D+00 -0.102445D+02  0.341010D+02 -0.786289D+01  0.176080D+01
      2   0.342973D+01 -0.689548D+01 -0.186142D+02  0.424301D+01  0.142398D+01
      3  -0.276843D+01  0.171399D+02 -0.154867D+02  0.361988D+01 -0.318477D+01
      4   0.606555D+01  0.182208D+02 -0.210958D+02  0.951657D+01  0.322831D+01
      5   0.214178D+02 -0.962671D+01  0.410197D-01  0.260034D+01  0.209332D+02
      6   0.669126D+01  0.769995D+00  0.183950D+01 -0.114458D+01  0.107421D+01
               211           212           213           214           215 
      1  -0.587443D+01  0.438043D+01  0.208495D+01  0.501955D+00 -0.442818D+00
      2   0.687150D+00  0.174656D+00  0.352189D+01 -0.175258D-01  0.152644D+01
      3   0.518728D+01 -0.455509D+01 -0.560684D+01 -0.484429D+00 -0.108362D+01
      4   0.360302D+02 -0.204514D+02  0.394653D+01 -0.390223D+01  0.111629D+01
      5  -0.252296D+01  0.577839D+01  0.152417D+02  0.103601D+02 -0.698725D+01
      6  -0.793579D+00  0.306975D+01  0.100288D+02 -0.261194D+01  0.422439D+01
               216           217           218           219           220 
      1   0.258551D+01 -0.777457D+02  0.255921D+02  0.263405D+01  0.273805D+02
      2  -0.129687D+01  0.429184D+02 -0.130039D+02 -0.532530D+00 -0.120484D+02
      3  -0.128864D+01  0.348273D+02 -0.125882D+02 -0.210152D+01 -0.153321D+02
      4  -0.754687D+01  0.328025D+02  0.194812D+02 -0.736211D+01 -0.177029D+02
      5  -0.292621D+01  0.110690D+01 -0.705244D+01  0.107443D+02 -0.792131D+01
      6  -0.272484D+01 -0.377261D+01 -0.100303D+01  0.307143D+01 -0.413121D+01
               221           222           223           224           225 
      1   0.513135D+01 -0.973600D+01 -0.112298D+01 -0.636876D+01  0.127347D+02
      2  -0.475608D+01 -0.524224D+01 -0.551530D+01 -0.335046D+01 -0.413805D+01
      3  -0.375265D+00  0.149782D+02  0.663828D+01  0.971922D+01 -0.859665D+01
      4  -0.106338D+02 -0.210014D+02 -0.716196D+01 -0.177770D+02 -0.421898D+02
      5  -0.215314D+02 -0.689646D+02 -0.182161D+02 -0.403279D+02  0.286608D+02
      6  -0.509655D+01 -0.171295D+02 -0.112853D+02 -0.116001D+02  0.853740D+01
               226           227           228           229           230 
      1  -0.879174D+01 -0.188789D+02  0.437466D+01 -0.104497D+02 -0.487060D+02
      2   0.952802D+01  0.202124D+02 -0.339679D+01  0.114985D+02  0.578054D+02
      3  -0.736275D+00 -0.133354D+01 -0.977870D+00 -0.104887D+01 -0.909938D+01
      4   0.395967D+01  0.693968D+01 -0.109111D+01  0.285192D+01 -0.375955D+01
      5  -0.407637D+00 -0.622222D+00  0.140667D+01  0.221923D+00  0.219424D+01
      6  -0.281462D+01 -0.520474D+01  0.345839D+01 -0.297130D+01 -0.139957D+02
               231           232           233           234           235 
      1   0.986905D+01  0.271439D+01  0.102399D+02 -0.209550D+01  0.180536D+02
      2  -0.885709D+01 -0.288530D+01 -0.107331D+02  0.250084D+01  0.201688D+01
      3  -0.101197D+01  0.170910D+00  0.493262D+00 -0.405342D+00 -0.200705D+02
      4   0.969894D+00 -0.338740D+00  0.582073D+00  0.929362D+00 -0.396432D+02
      5  -0.139560D+01  0.229533D+01  0.434689D-01 -0.361740D+00  0.634822D+01
      6   0.886875D+01  0.146168D+00  0.518783D+01 -0.276488D+01 -0.288440D+01
               236           237           238           239           240 
      1  -0.106581D+02  0.116834D+01 -0.744147D+01 -0.402471D+01  0.362316D+00
      2  -0.739813D+01  0.128845D+00 -0.144047D+02  0.320924D+02 -0.214322D+01
      3   0.180562D+02 -0.129718D+01  0.218462D+02 -0.280677D+02  0.178091D+01
      4   0.392133D+02 -0.403003D+01  0.458278D+02 -0.629883D+02  0.740746D+01
      5  -0.563915D+01  0.538891D+01 -0.830040D+01  0.100775D+02 -0.705811D+01
      6   0.305300D+01 -0.344445D+01  0.637638D+01 -0.829993D+01  0.694618D+01
               241           242           243           244           245 
      1  -0.160585D+00  0.102791D+01 -0.167184D+01  0.184351D+02  0.116916D+02
      2   0.342943D+01 -0.413895D+01  0.233145D+01 -0.727299D+01 -0.389088D+01
      3  -0.326884D+01  0.311104D+01 -0.659609D+00 -0.111621D+02 -0.780074D+01
      4  -0.581764D+01  0.807537D+01 -0.347550D+01  0.207586D+02  0.153308D+02
      5  -0.236797D+00 -0.293800D+01  0.163091D+01 -0.461520D+01 -0.299186D+01
      6   0.760599D+00  0.320944D+01 -0.189620D+01 -0.114040D+01 -0.109625D+01
               246           247           248           249           250 
      1  -0.327456D+01  0.139314D+02 -0.353040D+00 -0.759031D+00 -0.388009D+01
      2   0.153714D+01 -0.813873D+00  0.115680D+02 -0.435318D+00  0.140551D+01
      3   0.173742D+01 -0.131176D+02 -0.112149D+02  0.119435D+01  0.247458D+01
      4  -0.366365D+01  0.265768D+02  0.363604D+02 -0.735663D+01 -0.610098D+01
      5   0.268219D+01 -0.517295D+01 -0.590971D+01  0.492732D+01  0.153147D+01
      6   0.100651D+01 -0.257160D+01 -0.412354D+01  0.432622D+01  0.205937D+01
               251           252           253           254           255 
      1  -0.106864D+01 -0.941187D+00 -0.236680D+01 -0.995193D-02 -0.110505D+02
      2  -0.106802D+01  0.188866D+01  0.689825D+00 -0.217503D+00  0.288602D+01
      3   0.213666D+01 -0.947468D+00  0.167698D+01  0.227455D+00  0.816446D+01
      4  -0.769788D+01  0.181472D+01 -0.390841D+01 -0.229964D+01 -0.206543D+00
      5   0.270270D+00 -0.841569D+00 -0.581663D+01  0.171412D+00 -0.788683D+01
      6   0.180862D+01 -0.169895D+01 -0.896420D+00  0.912394D+00 -0.302000D+01
               256           257           258           259           260 
      1   0.536222D+01  0.115081D+01  0.515086D+00 -0.309728D+02 -0.278289D+01
      2  -0.331931D+01  0.157263D+00  0.101052D+01  0.222199D+02  0.329341D+01
      3  -0.204291D+01 -0.130807D+01 -0.152561D+01  0.875286D+01 -0.510516D+00
      4   0.172416D+02  0.172081D+02 -0.167830D+02 -0.180140D+02 -0.162116D+02
      5  -0.121003D+02 -0.152880D+02  0.286228D+02  0.370657D+02  0.241803D+02
      6  -0.446477D+01 -0.675344D+01  0.117162D+02  0.992932D+01  0.101406D+02
               261           262           263           264           265 
      1  -0.197938D+01  0.209968D+03 -0.152247D+02 -0.845946D+01 -0.427389D+02
      2  -0.135903D+02 -0.110522D+03  0.892138D+01  0.530325D+01  0.235317D+02
      3   0.155697D+02 -0.994466D+02  0.630327D+01  0.315621D+01  0.192072D+02
      4   0.267541D+02 -0.580307D+01  0.148897D+02  0.980357D+00  0.204884D+02
      5  -0.688297D+02 -0.123539D+02  0.160559D+01  0.172616D+02  0.334932D+01
      6  -0.164656D+02  0.192365D+01 -0.899160D+00  0.524010D+00 -0.146004D+01
               266           267           268           269           270 
      1   0.185810D+02  0.203518D+01 -0.306162D+01  0.623018D+00  0.151943D+02
      2  -0.904122D+01 -0.987732D+00  0.263276D+01  0.150097D+00 -0.918329D+01
      3  -0.953980D+01 -0.104745D+01  0.428853D+00 -0.773115D+00 -0.601096D+01
      4  -0.957619D+01  0.543818D+00  0.106893D+01  0.159288D+01  0.193977D+01
      5   0.228451D+00 -0.249785D+01  0.230253D+02  0.107480D+01 -0.400184D+01
      6   0.102115D+01  0.145467D+01  0.354437D+00  0.204945D+01 -0.345586D+00
               271           272           273           274           275 
      1   0.546628D+01  0.457283D+01  0.902021D+01  0.212289D+02  0.865594D+01
      2  -0.169437D+01 -0.228793D+01 -0.479345D+01 -0.627178D+01  0.513987D+01
      3  -0.377191D+01 -0.228490D+01 -0.422675D+01 -0.149571D+02 -0.137958D+02
      4   0.241509D+01  0.140557D+01  0.221428D+01  0.351845D+02  0.424907D+02
      5   0.896583D+01  0.127137D+01 -0.416256D+01  0.170279D+02  0.259564D+02
      6   0.184568D+01 -0.196918D+00 -0.205359D+01  0.671474D+01  0.910623D+01
               276           277           278           279 
      1   0.363702D+01  0.336970D+02  0.753706D+01  0.180573D+01
      2   0.320303D+01 -0.151988D+02 -0.174050D+00 -0.244010D+01
      3  -0.684005D+01 -0.184983D+02 -0.736301D+01  0.634377D+00
      4   0.265315D+02  0.261681D+02  0.280055D+02  0.284174D+02
      5   0.301151D+02  0.258116D+02  0.273924D+02  0.365145D+02
      6   0.976796D+01  0.926876D+01  0.983050D+01  0.103093D+02
 Leave Link  716 at Thu Aug 12 21:30:49 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308395D+03 -0.125800D+02 -0.104217D+02
      2  -0.125800D+02  0.181233D+03 -0.848109D+01
      3  -0.104217D+02 -0.848109D+01  0.124226D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.113787D+02  0.198654D+02 -0.165629D+02
      2  -0.270497D+02 -0.134991D+02 -0.289804D+02
      3   0.498761D+02 -0.619049D+02  0.220942D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.341578D+03 -0.972397D+02 -0.147240D+02
      2  -0.150558D+03  0.791437D+02 -0.121771D+02
      3  -0.191020D+03  0.180960D+02  0.269011D+02
      4  -0.163885D+02  0.130644D+03 -0.453872D+02
      5   0.482563D+02 -0.541616D+02 -0.608970D+02
      6  -0.265750D+02  0.418263D+02  0.270780D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.383672D+02  0.697530D+01  0.738708D+00 -0.356796D+02  0.109909D+02
      2   0.697530D+01 -0.322464D+01  0.187878D-01  0.109909D+02 -0.106570D+02
      3   0.738708D+00  0.187878D-01  0.110755D+00  0.118048D+00  0.117948D+01
                 6             7             8             9            10 
      1   0.118048D+00  0.957038D+01 -0.277166D+01 -0.904087D+00  0.468107D+02
      2   0.117948D+01 -0.277166D+01  0.178453D+01 -0.133935D+01 -0.103871D+02
      3   0.526457D+00 -0.904087D+00 -0.133935D+01  0.531531D+00 -0.829910D+00
                11            12            13            14            15 
      1  -0.103871D+02 -0.829910D+00  0.328036D+02 -0.911714D+01 -0.603860D-01
      2   0.694285D+01 -0.709105D+00 -0.911714D+01  0.857024D+01 -0.849021D+00
      3  -0.709105D+00 -0.464984D+00 -0.603860D-01 -0.849021D+00 -0.405012D+00
                16            17            18            19            20 
      1  -0.917477D+01  0.267920D+01  0.147243D+01  0.368203D+02 -0.738734D+01
      2   0.267920D+01 -0.166879D+01  0.120748D+01 -0.738734D+01  0.478772D+01
      3   0.147243D+01  0.120748D+01 -0.293095D+00 -0.368369D+00 -0.534551D+00
                21            22            23            24            25 
      1  -0.368369D+00 -0.287323D+02  0.444771D+01 -0.159675D+00  0.382665D+01
      2  -0.534551D+00  0.444771D+01 -0.553980D+01 -0.183287D+00 -0.907610D+00
      3   0.118127D+00 -0.159675D+00 -0.183287D+00 -0.193135D+01 -0.123288D+01
                26            27            28            29            30 
      1  -0.907610D+00 -0.123288D+01 -0.528877D+02  0.650514D+01  0.797377D+00
      2  -0.364700D+00 -0.278632D+01  0.650514D+01 -0.360337D+01 -0.259255D+00
      3  -0.278632D+01  0.175172D+01  0.797377D+00 -0.259255D+00 -0.232398D+01
                31            32            33            34            35 
      1   0.137581D+02 -0.200353D+01 -0.132475D+01 -0.427008D+01 -0.720971D+00
      2  -0.200353D+01  0.950189D+01 -0.141055D+01 -0.720971D+00 -0.817013D+00
      3  -0.132475D+01 -0.141055D+01  0.274696D+00 -0.661028D+01  0.115888D+01
                36            37            38            39            40 
      1  -0.661028D+01  0.163675D+01 -0.853360D-01  0.169301D-01  0.137895D+02
      2   0.115888D+01 -0.853360D-01 -0.107001D+02  0.171657D+01 -0.214602D+01
      3   0.416013D+00  0.169301D-01  0.171657D+01 -0.246586D+01 -0.643519D+00
                41            42            43            44            45 
      1  -0.214602D+01 -0.643519D+00 -0.325062D+01 -0.389043D+00 -0.510027D+01
      2  -0.919793D+00  0.133290D+01 -0.389043D+00  0.233216D+01  0.334652D+01
      3   0.133290D+01  0.174119D+01 -0.510027D+01  0.334652D+01 -0.760495D+00
                46            47            48            49            50 
      1   0.429206D+01 -0.217293D+01  0.273139D+00  0.300286D+01 -0.246364D+01
      2  -0.217293D+01  0.859462D+01 -0.602155D+00 -0.246364D+01  0.475811D+00
      3   0.273139D+00 -0.602155D+00  0.241913D+01  0.573082D+00  0.108089D+01
                51            52            53            54            55 
      1   0.573082D+00 -0.438296D+00  0.849441D+00  0.908890D+00 -0.117477D+02
      2   0.108089D+01  0.849441D+00  0.926361D+00  0.392474D+01  0.506106D+01
      3   0.989476D+00  0.908890D+00  0.392474D+01 -0.202790D+01 -0.402114D+00
                56            57            58            59            60 
      1   0.506106D+01 -0.402114D+00  0.221384D+01  0.153079D-01 -0.636701D+00
      2  -0.114691D+02  0.114006D+01  0.153079D-01  0.105127D+01 -0.117734D+01
      3   0.114006D+01 -0.253900D+01 -0.636701D+00 -0.117734D+01 -0.105379D+01
                61            62            63            64            65 
      1   0.132812D-01 -0.944197D+00 -0.143134D+01 -0.239642D+01 -0.238444D+01
      2  -0.944197D+00 -0.749809D+00 -0.359709D+01 -0.238444D+01 -0.144366D+01
      3  -0.143134D+01 -0.359709D+01  0.215874D+01  0.577806D+00  0.334287D+00
                66            67            68            69            70 
      1   0.577806D+00 -0.321286D+01 -0.307970D+01  0.787627D+00  0.949602D+00
      2   0.334287D+00 -0.307970D+01 -0.504014D+01  0.102741D+01  0.744469D+00
      3  -0.417586D+00  0.787627D+00  0.102741D+01 -0.873778D+00 -0.207717D+00
                71            72            73            74            75 
      1   0.744469D+00 -0.207717D+00 -0.456029D+01  0.330642D+01 -0.245674D+00
      2   0.939382D+00 -0.372890D+00  0.330642D+01 -0.344785D+01  0.358470D+00
      3  -0.372890D+00  0.250318D+00 -0.245674D+00  0.358470D+00 -0.270194D+00
                76            77            78            79            80 
      1   0.358423D+01 -0.470917D+01  0.687157D+00 -0.304947D+00  0.759418D+00
      2  -0.470917D+01  0.795365D+01 -0.923577D+00  0.759418D+00 -0.115185D+01
      3   0.687157D+00 -0.923577D+00  0.747289D+00  0.414284D+00  0.272991D+00
                81            82            83            84            85 
      1   0.414284D+00  0.159330D+01  0.224708D+01 -0.487811D+00  0.116241D+01
      2   0.272991D+00  0.224708D+01  0.331005D+01 -0.687845D+00  0.258101D+01
      3  -0.220664D+00 -0.487811D+00 -0.687845D+00  0.386974D+00 -0.453133D+00
                86            87            88            89            90 
      1   0.258101D+01 -0.453133D+00 -0.231912D+00 -0.538636D+00  0.262607D+00
      2   0.914519D+01 -0.166147D+01 -0.538636D+00 -0.192353D+01  0.399148D+00
      3  -0.166147D+01  0.103837D+01  0.262607D+00  0.399148D+00 -0.252096D+00
                91            92            93            94            95 
      1   0.197641D+02 -0.194803D+01  0.161343D+00  0.614954D+01  0.891827D+00
      2  -0.194803D+01  0.159684D+01  0.791137D+00  0.891827D+00 -0.337802D+01
      3   0.161343D+00  0.791137D+00  0.335539D+01  0.425850D+00  0.201800D+01
                96            97            98            99           100 
      1   0.425850D+00 -0.283136D+01  0.148208D+01  0.884289D+01  0.978106D+01
      2   0.201800D+01  0.148208D+01  0.166496D+01 -0.347935D-01 -0.757518D+00
      3   0.141534D+01  0.884289D+01 -0.347935D-01 -0.191353D+01 -0.213682D+01
               101           102           103           104           105 
      1  -0.757518D+00 -0.213682D+01 -0.295202D+01 -0.166400D+01 -0.112094D+00
      2  -0.168714D+01 -0.531838D+00 -0.166400D+01  0.143652D+01 -0.365124D+01
      3  -0.531838D+00 -0.255901D+01 -0.112094D+00 -0.365124D+01 -0.165089D+01
               106           107           108           109           110 
      1   0.706946D+01 -0.108560D+01 -0.591473D+01  0.660171D+01  0.380940D+01
      2  -0.108560D+01 -0.228916D+01 -0.675539D+00  0.380940D+01  0.111447D+01
      3  -0.591473D+01 -0.675539D+00  0.305935D+01 -0.109423D+01 -0.398767D+00
               111           112           113           114           115 
      1  -0.109423D+01  0.296750D+00  0.135314D+01 -0.860656D+00 -0.102806D+02
      2  -0.398767D+00  0.135314D+01  0.318235D+00 -0.918320D+00 -0.158996D+01
      3  -0.156361D+01 -0.860656D+00 -0.918320D+00 -0.755108D+00 -0.472680D+01
               116           117           118           119           120 
      1  -0.158996D+01 -0.472680D+01 -0.474000D+00  0.209537D+01 -0.642346D+00
      2  -0.187613D+01 -0.146202D+00  0.209537D+01 -0.186357D+01  0.323527D-01
      3  -0.146202D+00  0.187561D+00 -0.642346D+00  0.323527D-01 -0.118089D+01
               121           122           123           124           125 
      1   0.435743D+01 -0.233633D+01  0.187900D+00 -0.121893D+01  0.151526D+00
      2  -0.233633D+01  0.598773D+01 -0.975392D+00  0.151526D+00 -0.128624D+01
      3   0.187900D+00 -0.975392D+00  0.135719D+01 -0.149030D+01  0.106247D+01
               126           127           128           129           130 
      1  -0.149030D+01  0.941997D-01 -0.616693D+00  0.153209D+00 -0.201074D+01
      2   0.106247D+01 -0.616693D+00  0.758786D+00 -0.276783D+00  0.599977D-01
      3  -0.377832D+00  0.153209D+00 -0.276783D+00  0.126540D+01  0.596047D+00
               131           132           133           134           135 
      1   0.599977D-01  0.596047D+00  0.264866D+00  0.853210D-01  0.213988D+00
      2  -0.404138D+01  0.226323D+01  0.853210D-01  0.158740D+01 -0.119228D+01
      3   0.226323D+01 -0.265581D+01  0.213988D+00 -0.119228D+01  0.181882D+01
               136           137           138           139           140 
      1  -0.169268D+02  0.898618D+00  0.413972D+01  0.522982D+00 -0.124256D+01
      2   0.898618D+00 -0.846691D+00 -0.329315D+00 -0.124256D+01  0.762009D-01
      3   0.413972D+01 -0.329315D+00 -0.255015D+01 -0.279995D+00  0.705941D+00
               141           142           143           144           145 
      1  -0.279995D+00  0.123568D+01  0.107974D+00 -0.126473D+01 -0.248159D+00
      2   0.705941D+00  0.107974D+00  0.722292D-01  0.985200D-01  0.813944D+00
      3   0.183302D+00 -0.126473D+01  0.985200D-01  0.393778D+00  0.757091D+00
               146           147           148           149           150 
      1   0.813944D+00  0.757091D+00  0.136988D+01  0.125285D+00 -0.252244D+00
      2   0.100285D+01  0.851094D+00  0.125285D+00  0.304166D+01  0.289046D+01
      3   0.851094D+00  0.203800D+01 -0.252244D+00  0.289046D+01  0.368013D+01
               151           152           153           154           155 
      1   0.352989D-01  0.798036D-01  0.255180D+00 -0.182461D+02 -0.475179D+01
      2   0.798036D-01  0.211192D+01  0.236905D+01 -0.475179D+01 -0.251655D+01
      3   0.255180D+00  0.236905D+01  0.450327D+01  0.327312D+00 -0.342390D+00
               156           157           158           159           160 
      1   0.327312D+00 -0.806118D+01 -0.552367D+01  0.278904D+00  0.863342D+00
      2  -0.342390D+00 -0.552367D+01 -0.392487D+01  0.307823D+00  0.502531D+00
      3  -0.232727D+01  0.278904D+00  0.307823D+00 -0.103173D+01 -0.214137D+01
               161           162           163           164           165 
      1   0.502531D+00 -0.214137D+01 -0.140347D+02 -0.293849D+01 -0.355455D+01
      2   0.106839D+01 -0.100809D+01 -0.293849D+01 -0.311099D+00  0.786553D-01
      3  -0.100809D+01  0.130209D+01 -0.355455D+01  0.786553D-01 -0.122362D+01
               166           167           168           169           170 
      1  -0.708436D+01 -0.832886D+00 -0.112338D+01  0.168596D+01  0.364206D+00
      2  -0.832886D+00 -0.857255D+00 -0.166456D+01  0.364206D+00 -0.199367D+00
      3  -0.112338D+01 -0.166456D+01 -0.203271D+01 -0.652705D+00 -0.111245D+01
               171           172           173           174           175 
      1  -0.652705D+00  0.113176D+02  0.240899D+01  0.153824D+01  0.793679D+01
      2  -0.111245D+01  0.240899D+01  0.600459D+00  0.403055D+00  0.870522D+00
      3  -0.719817D+01  0.153824D+01  0.403055D+00  0.296349D+01  0.142128D+01
               176           177           178           179           180 
      1   0.870522D+00  0.142128D+01  0.490853D+01  0.515519D+00  0.203763D+01
      2   0.380533D+00 -0.577479D+00  0.515519D+00 -0.105838D+01  0.564235D+00
      3  -0.577479D+00  0.153715D+01  0.203763D+01  0.564235D+00 -0.135657D+01
               181           182           183           184           185 
      1   0.111599D+02 -0.187190D+01  0.623914D-01 -0.941380D+01  0.198802D+01
      2  -0.187190D+01  0.119192D+02 -0.200919D+01  0.198802D+01  0.250490D+01
      3   0.623914D-01 -0.200919D+01  0.282001D+01  0.945520D+00 -0.168420D+01
               186           187           188           189           190 
      1   0.945520D+00  0.152889D+01  0.361347D+00  0.463601D+01  0.323458D+02
      2  -0.168420D+01  0.361347D+00 -0.279246D+01 -0.350654D+01 -0.547077D+01
      3  -0.156713D+01  0.463601D+01 -0.350654D+01  0.847012D+00 -0.239781D+00
               191           192           193           194           195 
      1  -0.547077D+01 -0.239781D+00 -0.214990D+02  0.229470D+01  0.212396D+01
      2   0.633912D+01 -0.189679D+00  0.229470D+01 -0.141947D+02  0.204514D+01
      3  -0.189679D+00  0.412690D+01  0.212396D+01  0.204514D+01 -0.168725D+01
               196           197           198           199           200 
      1   0.262991D+01  0.108780D+01  0.658205D+01 -0.383761D+02  0.918837D+01
      2   0.108780D+01  0.156016D+01 -0.203673D+01  0.918837D+01 -0.842952D+01
      3   0.658205D+01 -0.203673D+01 -0.212197D+00  0.678564D+00  0.133129D+01
               201           202           203           204           205 
      1   0.678564D+00  0.258680D+02 -0.317858D+01 -0.714688D+00 -0.190340D+01
      2   0.133129D+01 -0.317858D+01  0.737909D+01  0.267310D-03  0.357014D+00
      3  -0.122360D+00 -0.714688D+00  0.267310D-03  0.283407D+01  0.750108D+00
               206           207           208           209           210 
      1   0.357014D+00  0.750108D+00 -0.501692D+01 -0.124534D+00  0.327448D+00
      2   0.550197D+00  0.337276D+01 -0.124534D+00 -0.304942D+01  0.414147D+00
      3   0.337276D+01 -0.200995D+01  0.327448D+00  0.414147D+00 -0.836780D+00
               211           212           213           214           215 
      1   0.133931D+01  0.209152D+01 -0.313077D+00  0.154139D+00 -0.379655D+00
      2   0.209152D+01 -0.181431D+01  0.368198D+00 -0.379655D+00  0.380879D+00
      3  -0.313077D+00  0.368198D+00  0.136771D+01  0.216663D+00 -0.531664D+00
               216           217           218           219           220 
      1   0.216663D+00 -0.355536D+00  0.246011D+01 -0.451669D+00  0.210162D+01
      2  -0.531664D+00  0.246011D+01  0.260575D+01 -0.700129D+00 -0.184639D+01
      3  -0.598154D-01 -0.451669D+00 -0.700129D+00  0.158054D+01 -0.667407D+00
               221           222           223           224           225 
      1  -0.184639D+01 -0.667407D+00 -0.660574D+00 -0.529480D+00 -0.192044D+01
      2   0.488498D+00 -0.193255D+01 -0.529480D+00 -0.184165D+01 -0.371159D+01
      3  -0.193255D+01 -0.582011D+01 -0.192044D+01 -0.371159D+01  0.277523D+01
               226           227           228           229           230 
      1  -0.114796D+01 -0.182837D+01  0.420651D+00 -0.549381D+00 -0.203463D+01
      2  -0.182837D+01 -0.335585D+01  0.686196D+00 -0.203463D+01 -0.880971D+01
      3   0.420651D+00  0.686196D+00 -0.403738D+00  0.406205D+00  0.159855D+01
               231           232           233           234           235 
      1   0.406205D+00  0.227944D+00  0.519964D+00  0.116875D+00  0.495450D+01
      2   0.159855D+01  0.519964D+00  0.175705D+01 -0.532549D+00 -0.403348D+01
      3  -0.105851D+01  0.116875D+00 -0.532549D+00  0.283691D+00  0.403236D+00
               236           237           238           239           240 
      1  -0.403348D+01  0.403236D+00 -0.461034D+01  0.550657D+01 -0.828202D+00
      2   0.416372D+01 -0.418823D+00  0.550657D+01 -0.830459D+01  0.993240D+00
      3  -0.418823D+00  0.487400D+00 -0.828202D+00  0.993240D+00 -0.862149D+00
               241           242           243           244           245 
      1   0.453683D+00 -0.792178D+00 -0.289976D+00  0.304249D+01  0.250352D+01
      2  -0.792178D+00  0.116499D+01 -0.279824D+00  0.250352D+01  0.142537D+01
      3  -0.289976D+00 -0.279824D+00  0.228203D+00 -0.641474D+00 -0.387865D+00
               246           247           248           249           250 
      1  -0.641474D+00  0.392937D+01  0.315150D+01 -0.796831D+00 -0.922862D+00
      2  -0.387865D+00  0.315150D+01  0.513884D+01 -0.107246D+01 -0.756022D+00
      3   0.267413D+00 -0.796831D+00 -0.107246D+01  0.690401D+00  0.156316D+00
               251           252           253           254           255 
      1  -0.756022D+00  0.156316D+00 -0.117230D+01 -0.435468D+00 -0.393553D+00
      2  -0.107123D+01  0.117292D+00 -0.435468D+00 -0.165252D+00  0.116766D+00
      3   0.117292D+00 -0.806471D-01 -0.393553D+00  0.116766D+00 -0.116311D+01
               256           257           258           259           260 
      1   0.777417D+00  0.145609D+01 -0.105295D+01 -0.396161D+01 -0.141256D+01
      2   0.145609D+01  0.133036D+01 -0.152546D+01 -0.141256D+01 -0.134310D+01
      3  -0.105295D+01 -0.152546D+01  0.257557D+01  0.326248D+01  0.231028D+01
               261           262           263           264           265 
      1   0.326248D+01  0.161619D+02 -0.111149D+01 -0.720385D+00 -0.383111D+01
      2   0.231028D+01 -0.111149D+01  0.908972D+00  0.119096D+00  0.147351D+01
      3  -0.676596D+01 -0.720385D+00  0.119096D+00  0.108147D+01  0.268120D+00
               266           267           268           269           270 
      1   0.147351D+01  0.268120D+00 -0.216754D+00  0.110002D+00  0.155825D+01
      2  -0.771789D+00  0.540919D-01  0.110002D+00  0.149763D+00  0.153217D+00
      3   0.540919D-01 -0.173794D+00  0.155825D+01  0.153217D+00 -0.327379D+00
               271           272           273           274           275 
      1  -0.418394D+00  0.323956D-01  0.835512D+00  0.267300D+01  0.288068D+01
      2   0.323956D-01  0.430034D-01 -0.142674D-01  0.288068D+01  0.347273D+01
      3   0.835512D+00 -0.142674D-01 -0.608852D+00  0.145999D+01  0.234128D+01
               276           277           278           279 
      1   0.145999D+01  0.424911D+01  0.205997D+01  0.220096D+01
      2   0.234128D+01  0.205997D+01  0.238305D+01  0.250631D+01
      3   0.260080D+01  0.220096D+01  0.250631D+01  0.334898D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.318302D+01  0.206639D+01 -0.124146D+01  0.346211D+01 -0.203225D+01
      2   0.789859D+01  0.412773D+01 -0.444362D+00  0.781062D+01 -0.514533D+01
      3   0.510603D+01  0.241777D+02 -0.516511D+01  0.272298D+02 -0.255928D+02
                 6             7             8             9            10 
      1   0.387381D+00 -0.617077D+01  0.825741D+01 -0.129931D+01 -0.100966D+01
      2   0.270002D+01 -0.211267D+02  0.474699D+01 -0.640272D-01 -0.672977D+01
      3   0.295091D+01 -0.818084D+00  0.171493D+01  0.462501D+00  0.271693D+02
                11            12            13            14            15 
      1   0.310351D+01 -0.108545D+01 -0.959637D+00  0.873493D+00  0.113607D+01
      2   0.455115D+01 -0.705412D+01  0.111330D+01 -0.428219D+01  0.267172D+00
      3   0.195555D+02 -0.407137D+01  0.572672D+02 -0.332806D+02  0.282689D+01
                16            17            18            19            20 
      1  -0.720763D+01  0.859947D+01 -0.148725D+01 -0.379799D+01 -0.790112D+00
      2  -0.217985D+02  0.450572D+01  0.989873D+00 -0.936406D+01 -0.337429D+01
      3  -0.827096D+01  0.347402D+01 -0.314111D+00 -0.583605D+00 -0.262194D+02
                21            22            23            24            25 
      1   0.581686D+00 -0.410279D+00  0.208476D+00 -0.170537D+01 -0.859843D+01
      2   0.701085D+00  0.286906D+01  0.177222D+01  0.131339D+01 -0.183900D+02
      3   0.535466D+01 -0.549311D+01  0.524564D+01 -0.206074D+01  0.636561D+01
                26            27            28            29            30 
      1   0.450698D+01 -0.115400D+01  0.612082D+00  0.164065D+01  0.630016D+00
      2   0.830124D+01 -0.911050D+00  0.769037D+01  0.208063D+01  0.975842D+00
      3  -0.212143D+01 -0.803428D+00 -0.264928D+02  0.130828D+02 -0.170373D+01
                31            32            33            34            35 
      1   0.594370D+01  0.387933D+01  0.171783D+01  0.394795D+01  0.136363D+02
      2  -0.201407D+00  0.590691D+00  0.448448D+00 -0.154258D+02  0.775991D+00
      3   0.313475D+02 -0.153141D+01 -0.147303D+01 -0.109838D+01 -0.290562D+01
                36            37            38            39            40 
      1  -0.237479D+01  0.124097D+00 -0.200538D+00  0.676108D+01  0.118745D+01
      2   0.933476D+00 -0.384491D+01 -0.129225D+01  0.641722D+00 -0.332881D+01
      3  -0.232319D+01 -0.857071D+01 -0.380661D+01  0.906622D-01  0.139256D+02
                41            42            43            44            45 
      1  -0.113908D+01 -0.339744D+01  0.170547D+02  0.114927D+01 -0.439972D+00
      2  -0.362539D+01 -0.207685D+01 -0.971083D+01 -0.681368D+01  0.250857D+01
      3  -0.733852D+01  0.379588D+00 -0.456325D+01  0.192069D+01 -0.545854D+01
                46            47            48            49            50 
      1  -0.968856D+00 -0.197355D+01 -0.671317D+01 -0.253721D+01  0.654388D+00
      2   0.419069D+01 -0.318855D+01  0.232000D+01 -0.602099D+01  0.558545D+01
      3   0.232838D+02 -0.220994D+02  0.339820D+01 -0.100109D+02  0.251158D+02
                51            52            53            54            55 
      1  -0.280163D+01 -0.107689D+02 -0.241772D+01  0.344385D+01  0.171729D+01
      2  -0.964887D+00 -0.153553D+02  0.112129D+01  0.155109D+01  0.534817D+01
      3  -0.291201D+01  0.418225D+01 -0.246998D+01  0.542423D+01  0.325184D+02
                56            57            58            59            60 
      1  -0.412104D+01 -0.667521D+01 -0.234742D+01  0.133694D+01 -0.237468D+01
      2  -0.397390D+01 -0.501858D+01 -0.550686D+01  0.413614D+01 -0.203059D+01
      3  -0.105511D+02  0.240555D+01 -0.679784D+01  0.263617D+02 -0.175518D+01
                61            62            63            64            65 
      1  -0.110287D+02 -0.176871D+01  0.249120D+01 -0.249753D+00 -0.516370D+00
      2  -0.215090D+02 -0.219384D+01  0.551274D+01  0.109227D+01  0.795942D+00
      3   0.478078D+01 -0.128502D+01  0.128158D+02  0.180964D+01 -0.128327D+00
                66            67            68            69            70 
      1  -0.163521D+01 -0.764293D+00 -0.151347D+01 -0.279026D+01 -0.719945D+00
      2   0.566371D+00  0.104340D+01  0.675888D-02  0.186791D+01 -0.271123D+01
      3   0.317960D-01  0.324192D+01 -0.528632D+01  0.841477D+00 -0.703152D-01
                71            72            73            74            75 
      1   0.220584D+01  0.328345D+00 -0.302152D+00  0.209795D+00  0.202671D+01
      2  -0.758413D+00 -0.540943D-03 -0.772101D+00 -0.166813D+00  0.137415D+01
      3   0.772724D+00  0.546258D+00 -0.840151D+01  0.149702D+01  0.143585D-01
                76            77            78            79            80 
      1  -0.113432D+01  0.873926D+00 -0.393140D+01 -0.303937D+01  0.179830D+01
      2  -0.501025D+00  0.745548D+00 -0.240128D+01 -0.181524D+01  0.470898D-01
      3   0.393035D+01  0.149469D+01  0.385622D+00  0.434666D+00 -0.446109D+00
                81            82            83            84            85 
      1   0.512461D+00  0.818816D+00  0.586418D+00 -0.194515D+01  0.653710D+00
      2   0.517890D+00  0.965259D+00  0.481854D+00  0.101788D+01  0.660370D+00
      3   0.113826D+01  0.713274D+01  0.325401D+01 -0.121893D+01  0.545070D+01
                86            87            88            89            90 
      1   0.144657D+01 -0.457213D+01  0.859900D+00  0.219364D+01  0.381753D+00
      2   0.758966D+00  0.138952D+01 -0.118928D+01  0.782584D+00 -0.694821D+00
      3   0.405469D+01 -0.124988D+01 -0.105710D+01 -0.152755D+01 -0.580994D+00
                91            92            93            94            95 
      1   0.322106D+01  0.100531D+01 -0.194653D+01  0.578003D+01 -0.854548D+00
      2  -0.808168D+01 -0.228964D+01 -0.782238D+01 -0.299074D+01 -0.930692D+01
      3   0.154949D+02 -0.136500D+01  0.286423D+01  0.236481D+02 -0.192631D+02
                96            97            98            99           100 
      1  -0.243352D+01 -0.295428D+01  0.532753D+01  0.151821D+01  0.166589D+01
      2  -0.312613D+01 -0.373847D+02 -0.188768D+00  0.427551D+01 -0.127671D+02
      3   0.869678D+01  0.120666D+01  0.113584D+02  0.897640D+01  0.140073D+01
               101           102           103           104           105 
      1  -0.647324D+01  0.498626D+00 -0.271568D+01  0.439357D+01 -0.117622D+02
      2   0.216933D+01  0.185460D+02 -0.501021D+00  0.194558D+02  0.687398D+01
      3  -0.144103D+02 -0.135616D+01 -0.962895D+01  0.884876D+01 -0.161944D+02
               106           107           108           109           110 
      1   0.349079D+01 -0.608039D+01 -0.564616D+01 -0.534781D+01  0.120882D+01
      2   0.187535D+02  0.274459D+01 -0.517432D+01  0.143449D+02  0.499932D+01
      3   0.620304D+01 -0.150572D+02 -0.797184D+01 -0.583746D+01  0.101568D+02
               111           112           113           114           115 
      1   0.102876D+02 -0.119273D+02 -0.692309D+01 -0.861301D+01  0.977983D+01
      2   0.395439D+01  0.669480D+01  0.423293D+01 -0.936485D+01  0.960904D+01
      3  -0.723730D+01  0.839105D+01  0.172751D+02 -0.208566D+01 -0.190961D+02
               116           117           118           119           120 
      1  -0.523828D-01  0.634349D+01  0.121809D+01 -0.111089D+01  0.104005D+01
      2  -0.179640D+01  0.205760D+01  0.282154D+01 -0.104757D+01  0.515528D+01
      3  -0.713203D+01 -0.554425D+01  0.943502D+01 -0.658898D+01 -0.169206D+00
               121           122           123           124           125 
      1  -0.129643D+01  0.252641D+01 -0.305587D+01  0.100742D+01 -0.388344D+00
      2  -0.174810D+01  0.475463D+01 -0.507163D+01  0.292955D+01 -0.348993D+01
      3  -0.113176D+01  0.211853D+02 -0.385951D+01 -0.100187D+01 -0.521431D+01
               126           127           128           129           130 
      1   0.508753D+00 -0.263907D+01  0.278038D+01 -0.464503D+00  0.103477D+01
      2   0.164243D+01 -0.297631D+01  0.297915D+01 -0.458891D+01  0.277294D+01
      3   0.228369D+01 -0.502947D+01  0.400940D+01 -0.122521D+01  0.349665D+01
               131           132           133           134           135 
      1  -0.110430D+02  0.355911D+01  0.129112D-01  0.518875D+01 -0.265208D+01
      2  -0.103179D+02  0.919104D+01 -0.187997D+01  0.441303D+01 -0.724457D+01
      3  -0.172196D+02  0.941418D+01  0.488218D+00  0.600171D+01 -0.491676D+01
               136           137           138           139           140 
      1  -0.163229D+01 -0.265338D+01  0.853914D+00 -0.242416D+01 -0.786229D+00
      2   0.113900D+02  0.422544D-01  0.777215D+01  0.215819D+00 -0.797808D+00
      3  -0.551924D+01 -0.607914D+01  0.769052D+00 -0.374867D+01 -0.726505D+00
               141           142           143           144           145 
      1   0.352555D+00 -0.162788D+00  0.139392D+01  0.209893D-01  0.187852D+01
      2  -0.100641D+00  0.165468D+01  0.460747D+00  0.772100D+00 -0.491302D+01
      3   0.244157D+01 -0.896226D+00  0.289489D+01 -0.577004D+00  0.348760D+01
               146           147           148           149           150 
      1   0.313704D+01  0.213226D+00  0.179878D+01  0.595407D+01  0.244665D+01
      2  -0.481265D+01 -0.857283D+01 -0.299034D+01 -0.121338D+02 -0.136542D+02
      3   0.451835D+01  0.327298D+01  0.355504D+01  0.110897D+02  0.103619D+02
               151           152           153           154           155 
      1  -0.187858D+00  0.521160D+01  0.248416D+01  0.456969D+01  0.813373D+00
      2  -0.429069D+01 -0.963481D+01 -0.172167D+02 -0.109907D+02 -0.121194D+01
      3  -0.707964D-01  0.782899D+01  0.893127D+01 -0.910090D+01 -0.217436D+02
               156           157           158           159           160 
      1  -0.604087D+01  0.809879D+01  0.448453D+01 -0.325110D+01 -0.326986D+01
      2   0.198780D+02 -0.590505D+00 -0.451232D+01  0.113032D+02  0.493609D+01
      3  -0.396098D+00 -0.186884D+02 -0.236813D+02  0.282627D+00  0.405747D+01
               161           162           163           164           165 
      1   0.145161D+01  0.129230D+01  0.665952D+01  0.296864D+01 -0.322948D+01
      2   0.328132D+01 -0.825806D+01 -0.147022D+02 -0.552208D+01  0.312969D+01
      3   0.453190D+01 -0.263761D+01 -0.952081D+01 -0.382216D+01  0.699947D+00
               166           167           168           169           170 
      1   0.892240D+01  0.463491D+01  0.239735D+01 -0.174936D+01  0.741697D+01
      2  -0.995105D+01  0.488655D+01  0.853909D+01 -0.220543D+01  0.369523D+01
      3  -0.108406D+01 -0.457802D+01 -0.933763D+01  0.670773D+01 -0.210295D+01
               171           172           173           174           175 
      1  -0.289701D+01 -0.799775D+01 -0.356699D+01  0.451712D+00 -0.993500D+01
      2   0.240408D+02  0.235735D+02  0.407711D+01 -0.793047D+01  0.936828D+01
      3  -0.325110D+01  0.273837D+01  0.242284D+01  0.233602D+01  0.913270D+01
               176           177           178           179           180 
      1  -0.302353D+01 -0.192446D+01  0.115577D+00 -0.230224D+00 -0.706613D+00
      2   0.394063D+01 -0.435248D+01 -0.317076D+01 -0.111738D+01  0.587754D+01
      3   0.863846D+00  0.523104D+00  0.202291D+01  0.867343D+00  0.789942D+00
               181           182           183           184           185 
      1  -0.658371D+00  0.254755D+01  0.696710D+01  0.272659D+01 -0.136416D+01
      2  -0.698872D+01 -0.199531D+01  0.793901D+01 -0.107184D+01 -0.850080D+01
      3  -0.311759D+02 -0.151678D+02  0.296880D+01 -0.113657D+02 -0.284271D+02
               186           187           188           189           190 
      1  -0.288716D+01  0.160489D+02  0.324421D+01 -0.266925D+01 -0.101828D+01
      2  -0.279871D+01 -0.174676D+01 -0.116646D+02  0.145330D+01 -0.379882D+01
      3   0.676251D+01  0.346580D+01  0.841541D+01 -0.229438D+01  0.103644D+02
               191           192           193           194           195 
      1   0.348843D+01 -0.474839D+00  0.348217D+01  0.259190D+01  0.403357D+01
      2   0.475996D+01  0.154432D+01  0.141067D+02  0.173028D+01 -0.370969D+01
      3   0.210334D+02 -0.471098D+01  0.542912D+02  0.194942D+02 -0.616960D+01
               196           197           198           199           200 
      1  -0.423205D+01  0.152847D+02 -0.353294D+01  0.273847D+00 -0.212627D+01
      2  -0.646556D+00 -0.524425D+01  0.956758D+00  0.295674D+01 -0.221629D+01
      3  -0.106194D+02 -0.445659D+01  0.566083D+01 -0.199505D+02 -0.128385D+02
               201           202           203           204           205 
      1   0.335177D+00 -0.208993D+01  0.114750D+01 -0.397662D+01 -0.372966D+01
      2   0.440809D+01 -0.849155D+01  0.456629D+01  0.610750D+01 -0.167619D+02
      3   0.245287D+01 -0.490904D+01 -0.553880D+00 -0.174724D+01  0.569822D+01
               206           207           208           209           210 
      1   0.387144D+01  0.534327D+00  0.110433D+01 -0.324589D+01  0.794857D+00
      2   0.147870D+02 -0.487478D+01  0.312748D+01 -0.553240D+01  0.117404D+02
      3  -0.335714D+01 -0.615342D+01  0.106331D+02 -0.411297D+02  0.504144D+01
               211           212           213           214           215 
      1   0.243556D+00 -0.109112D+01 -0.636861D+01  0.271979D+01 -0.156384D+01
      2  -0.141566D+01  0.266463D+01  0.838302D+01 -0.689427D+01 -0.332666D+01
      3  -0.284599D+01  0.111853D+02 -0.281393D+01  0.972034D+00  0.176024D+01
               216           217           218           219           220 
      1   0.130172D+01 -0.145136D+01  0.464118D+00 -0.145139D+01  0.324590D+01
      2  -0.103255D+01 -0.712709D+01 -0.142855D+01  0.819318D+01 -0.315113D+01
      3   0.140942D+01 -0.378793D+02 -0.253798D+01  0.404271D+01  0.109796D+02
               221           222           223           224           225 
      1   0.399837D+01  0.627858D+01  0.131004D+02  0.718633D+01 -0.184867D+01
      2  -0.757015D+01 -0.358809D+02 -0.978677D+01 -0.225883D+02  0.173733D+02
      3   0.205645D+02  0.785828D+01  0.404874D+01  0.631125D+01  0.289963D+02
               226           227           228           229           230 
      1   0.217480D+00 -0.293065D+00 -0.190304D+01 -0.129505D-01 -0.769927D+00
      2   0.193785D+01  0.189746D+01  0.100325D+00  0.140964D+01  0.378626D+01
      3   0.918272D+01  0.804134D+01 -0.211740D+01  0.682161D+01  0.186001D+02
               231           232           233           234           235 
      1  -0.412692D+01  0.113766D+01  0.221521D+01  0.350720D+00 -0.827725D+00
      2  -0.512471D+00 -0.238152D+00 -0.109683D+01 -0.630622D-01 -0.921854D+00
      3  -0.379634D+01 -0.204964D+01 -0.402495D+01  0.232431D+00 -0.847570D-01
               236           237           238           239           240 
      1   0.858223D+00  0.212310D+01 -0.226907D+00 -0.833207D+00 -0.369084D+01
      2   0.246343D-01  0.248128D+01 -0.111263D+01  0.129858D+01 -0.369467D+01
      3  -0.595251D+01  0.590312D+00 -0.612219D+01  0.166711D+02 -0.147462D+01
               241           242           243           244           245 
      1  -0.309793D+01  0.154196D+01  0.545187D+00  0.274132D+00 -0.502742D-01
      2  -0.271063D+01 -0.880366D+00  0.114440D+01 -0.667420D+00 -0.836724D+00
      3   0.198483D+01 -0.235766D+01  0.162407D+01 -0.391763D+00 -0.265367D+01
               246           247           248           249           250 
      1  -0.107926D+01  0.196978D+00 -0.287375D+00 -0.276665D+01 -0.426546D+00
      2   0.980718D+00 -0.106044D+01 -0.284820D+01  0.264671D+01 -0.153989D+01
      3   0.443181D+00 -0.102133D+01 -0.132506D+02  0.240077D+01  0.584033D+00
               251           252           253           254           255 
      1   0.144810D+01  0.372843D+00 -0.505625D+00  0.625359D+00  0.161165D+01
      2  -0.894782D+00  0.353469D-01 -0.532561D+01  0.996186D+00 -0.605229D+01
      3   0.284830D+01  0.240291D+00  0.122055D+01  0.302620D+01 -0.273445D+01
               256           257           258           259           260 
      1  -0.128299D+00 -0.214615D+00 -0.226366D+01 -0.296901D+01  0.148652D+01
      2  -0.455369D+01 -0.835924D+01  0.148395D+02  0.110609D+02  0.135480D+02
      3  -0.539350D+01 -0.127445D+02  0.104724D+02  0.560004D+01  0.113210D+02
               261           262           263           264           265 
      1   0.561408D+01  0.710131D+00 -0.571573D+00 -0.316401D+00 -0.581216D+00
      2  -0.371255D+02  0.112006D+01  0.830259D-01  0.882604D+01  0.428149D+00
      3  -0.185856D+02  0.155904D+02 -0.100138D+02 -0.936447D+00 -0.840695D+01
               266           267           268           269           270 
      1   0.116999D+00 -0.749871D+00 -0.128442D+01  0.735042D-01  0.172077D+00
      2   0.779945D+00 -0.117401D+01  0.726124D+01  0.894973D+00 -0.163265D+01
      3   0.544811D+01 -0.440219D+00 -0.926320D+00 -0.749164D+00 -0.105679D+01
               271           272           273           274           275 
      1   0.158708D+00  0.189197D+00  0.102542D+01 -0.207536D+01 -0.300516D+01
      2   0.630343D+01  0.582597D+00 -0.264749D+01  0.669473D+01  0.117078D+02
      3  -0.173905D+01  0.171668D+01  0.510513D+00 -0.118668D+02 -0.263138D+02
               276           277           278           279 
      1  -0.498029D+01 -0.396824D+01 -0.157216D+01 -0.575332D+01
      2   0.150436D+02  0.788969D+01  0.138726D+02  0.178634D+02
      3  -0.144422D+02 -0.826456D+01 -0.168141D+02 -0.170627D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.760066D+02  0.340848D+02 -0.284330D+01 -0.710548D+02  0.610682D+01
      2   0.365379D+02 -0.213496D+02  0.249287D+01  0.369525D+02  0.395612D+01
      3   0.394688D+02 -0.127352D+02  0.350439D+00  0.341023D+02 -0.100629D+02
      4   0.171542D+02  0.964368D+01 -0.220842D+01  0.123478D+02 -0.196986D+02
      5  -0.622505D+01 -0.274506D+01  0.586853D+00 -0.559936D+01  0.651294D+01
      6   0.426874D+01  0.518488D+00  0.278090D+01  0.386081D+01 -0.497775D+01
                 6             7             8             9            10 
      1   0.189974D+01  0.178915D+02 -0.485635D+01 -0.947615D+01  0.114856D+03
      2  -0.374207D+01 -0.757247D+01  0.194642D+01 -0.109750D+01 -0.527981D+02
      3   0.184233D+01 -0.103190D+02  0.290993D+01  0.105736D+02 -0.620582D+02
      4   0.363876D+01 -0.321949D+01  0.299867D+01 -0.491372D+00  0.447138D+01
      5   0.373117D+01  0.994015D+00 -0.892563D+00 -0.619956D-01  0.687737D+00
      6  -0.151414D+00  0.211012D+01  0.412740D+01  0.101879D+01 -0.805857D+01
                11            12            13            14            15 
      1  -0.786675D+01 -0.731230D+01  0.541872D+02 -0.272276D+02  0.805800D+00
      2   0.297050D+01  0.292956D+01 -0.180664D+02  0.193980D+02 -0.373280D+01
      3   0.489625D+01  0.438275D+01 -0.361207D+02  0.782964D+01  0.292700D+01
      4   0.117902D+02 -0.487642D+01 -0.263876D+02  0.171834D+02 -0.103836D+01
      5  -0.692470D+01 -0.122618D+02  0.873792D+01 -0.271224D+01 -0.755416D+00
      6   0.307869D+01  0.122906D+01 -0.404219D+01 -0.436538D+00 -0.233354D+01
                16            17            18            19            20 
      1  -0.176191D+02  0.490721D+01 -0.532146D+01  0.443170D+02 -0.428059D+02
      2   0.773805D+01 -0.311130D+01 -0.230136D+01 -0.198462D+02  0.298961D+02
      3   0.988103D+01 -0.179591D+01  0.762281D+01 -0.244708D+02  0.129098D+02
      4   0.592343D+01 -0.218874D+01  0.537241D+01 -0.219349D+02 -0.122174D+02
      5   0.814695D+00  0.476005D+01  0.693670D+00  0.912763D+01  0.352329D+01
      6   0.573330D+01  0.433152D+01  0.166633D+01 -0.412788D+01  0.423485D+00
                21            22            23            24            25 
      1   0.473338D+01  0.497065D+01  0.333628D+02 -0.454444D+01 -0.430288D+01
      2  -0.362738D+01 -0.215074D+02 -0.322214D+02  0.649515D+01  0.749184D+01
      3  -0.110600D+01  0.165368D+02 -0.114142D+01 -0.195071D+01 -0.318896D+01
      4   0.251638D+01  0.158288D+02 -0.259922D+01  0.346856D+01 -0.195290D+01
      5  -0.351986D+01 -0.701098D+01  0.370189D+01  0.845308D+01  0.483169D+01
      6   0.494720D+00  0.107760D+02  0.518481D+01  0.235339D+01  0.306563D+01
                26            27            28            29            30 
      1  -0.209543D+01 -0.712929D+01  0.979384D+01  0.682601D+00  0.378898D+01
      2   0.555238D+01 -0.685840D+01 -0.277226D+02 -0.319766D+01 -0.107140D+01
      3  -0.345695D+01  0.139877D+02  0.179287D+02  0.251506D+01 -0.271758D+01
      4   0.544894D+01  0.428243D+01  0.104488D+01  0.148345D+02  0.917078D+00
      5   0.913424D+01 -0.259774D+01 -0.140299D+02  0.263839D+01  0.110399D+02
      6   0.393236D+01 -0.373256D+00  0.127141D+02 -0.176813D+01 -0.310665D+01
                31            32            33            34            35 
      1   0.206367D+02 -0.627008D+02  0.690993D+01 -0.579282D+01  0.101665D+02
      2  -0.787617D+01  0.581122D+02 -0.114971D+02  0.416701D+00 -0.108436D+02
      3  -0.127606D+02  0.458862D+01  0.458720D+01  0.537612D+01  0.677129D+00
      4  -0.372730D+02 -0.113215D+02  0.424811D+01  0.143032D+02  0.330154D+01
      5   0.112714D+02  0.485179D+01 -0.120426D+01  0.338909D+02 -0.584420D+01
      6  -0.195903D+01 -0.513653D+01 -0.297426D+01 -0.723708D+01  0.625540D+01
                36            37            38            39            40 
      1  -0.753620D-01 -0.707402D+01  0.723160D+02 -0.137299D+02 -0.218616D+02
      2  -0.820888D+01  0.164767D+01 -0.551147D+02  0.689587D+01  0.254846D+02
      3   0.828424D+01  0.542636D+01 -0.172013D+02  0.683398D+01 -0.362302D+01
      4  -0.658944D+00  0.195833D+02 -0.140440D+02 -0.584782D+00  0.169272D+02
      5   0.120000D+00 -0.274364D+01 -0.387760D+01  0.210037D+01  0.410044D+01
      6   0.545684D+01 -0.438902D+01  0.309472D+01 -0.134485D+02 -0.114180D+02
                41            42            43            44            45 
      1   0.229601D+02 -0.776109D+01  0.687295D+01 -0.142238D+02 -0.138630D+02
      2  -0.270841D+02  0.727138D+01 -0.104909D+02  0.156337D+02  0.353840D+01
      3   0.412398D+01  0.489707D+00  0.361792D+01 -0.140998D+01  0.103246D+02
      4   0.165607D+02 -0.771154D+01  0.919519D+00 -0.562476D+01 -0.697196D+01
      5  -0.886185D+01 -0.841073D+01  0.199818D+02 -0.832017D+01  0.373501D+01
      6   0.875334D+01  0.646680D+01 -0.189564D+02  0.177443D+02  0.640958D+00
                46            47            48            49            50 
      1   0.424405D+01 -0.565178D+02  0.808476D+01  0.299640D+02  0.183722D+01
      2  -0.412226D+01  0.439317D+02 -0.238943D+01 -0.263303D+02 -0.861504D+01
      3  -0.121793D+00  0.125862D+02 -0.569533D+01 -0.363368D+01  0.677782D+01
      4  -0.149013D+02 -0.788418D+01  0.419395D+01  0.960408D+01 -0.119256D+02
      5   0.429852D+01  0.618388D+01  0.620958D+00 -0.216266D+01  0.251101D+01
      6   0.449689D+01  0.150300D+01  0.119978D+02  0.331878D+01  0.108210D+02
                51            52            53            54            55 
      1  -0.695899D+01 -0.580616D+01 -0.140385D+01 -0.230832D+02 -0.221097D+02
      2   0.817596D+01  0.664155D+01  0.876841D+01  0.995051D+01  0.893180D+01
      3  -0.121697D+01 -0.835391D+00 -0.736456D+01  0.131327D+02  0.131779D+02
      4   0.369223D+01  0.158162D+01  0.643660D+01  0.570163D+01  0.906427D+01
      5   0.924028D+00  0.487038D+01  0.212942D+01  0.405314D+00 -0.360389D+01
      6   0.553437D+01  0.332683D+01  0.224137D+02 -0.589155D+01  0.333341D+01
                56            57            58            59            60 
      1  -0.382486D+02  0.604837D+01  0.111298D+02  0.136649D+02 -0.840767D+01
      2   0.328936D+02 -0.208408D+00 -0.126717D+02 -0.149792D+02  0.862092D+01
      3   0.535500D+01 -0.583996D+01  0.154191D+01  0.131427D+01 -0.213251D+00
      4  -0.511971D+02  0.768561D+01  0.117704D+02 -0.722718D+01 -0.285957D+00
      5   0.113199D+02 -0.122910D+02 -0.268095D+01 -0.159349D+01 -0.104860D+01
      6  -0.189974D+01  0.134763D+02  0.377423D+01  0.967014D+01  0.420401D+01
                61            62            63            64            65 
      1  -0.209371D+01 -0.515040D+01 -0.278646D+02  0.347967D+01 -0.113256D+01
      2   0.485658D+01  0.114666D+02  0.962409D+01 -0.470308D+00  0.238962D+01
      3  -0.276287D+01 -0.631618D+01  0.182405D+02 -0.300936D+01 -0.125706D+01
      4  -0.305242D+01  0.350235D+01 -0.636989D+01  0.972292D+01  0.102854D+02
      5  -0.208405D+01 -0.109342D+02  0.730608D+01 -0.288816D+01 -0.223551D+01
      6   0.483789D+01  0.193079D+02 -0.716396D+01 -0.185258D+01 -0.146908D+01
                66            67            68            69            70 
      1   0.183927D+00 -0.436137D+01 -0.146737D+02  0.327995D+01 -0.612414D-01
      2   0.205163D+00  0.655856D+01  0.174616D+02 -0.164115D+01  0.167523D+00
      3  -0.389091D+00 -0.219719D+01 -0.278788D+01 -0.163880D+01 -0.106282D+00
      4  -0.172564D+01  0.139821D+02  0.185606D+02 -0.334819D+01 -0.308951D+01
      5   0.294131D+01 -0.351373D+01 -0.352110D+01  0.354459D+01  0.146389D+01
      6   0.137836D+01 -0.319513D+01 -0.601855D+01  0.497283D+01  0.219223D+01
                71            72            73            74            75 
      1   0.195284D+01 -0.293604D+01 -0.108608D+01  0.691779D+01 -0.802398D+00
      2  -0.177136D+01  0.241323D+01  0.106962D+02 -0.162465D+02  0.150402D+01
      3  -0.181488D+00  0.522808D+00 -0.961016D+01  0.932873D+01 -0.701624D+00
      4  -0.346314D+01  0.234185D+01 -0.226213D+02  0.227673D+02 -0.235077D+01
      5   0.873890D+00 -0.134638D+01  0.192339D+01 -0.241750D+01  0.297241D+01
      6   0.311273D+01 -0.207246D+01 -0.110884D+01  0.156134D+01 -0.255229D+01
                76            77            78            79            80 
      1   0.125700D+02 -0.296955D+02  0.358171D+01 -0.248144D+01  0.458005D+01
      2  -0.238205D+02  0.479090D+02 -0.453370D+01  0.444654D+01 -0.663385D+01
      3   0.112505D+02 -0.182135D+02  0.951993D+00 -0.196510D+01  0.205381D+01
      4   0.246376D+02 -0.340360D+02  0.386429D+01 -0.327020D+01  0.422167D+01
      5  -0.339471D+01  0.431906D+01 -0.352300D+01  0.116625D-01 -0.172401D+01
      6   0.381875D+01 -0.546774D+01  0.632252D+01  0.167039D+01  0.254983D+01
                81            82            83            84            85 
      1  -0.126483D+01 -0.634741D+01 -0.107189D+02  0.253155D+01 -0.100801D+02
      2   0.246786D+01  0.103776D+02  0.174625D+02 -0.290574D+01  0.142738D+02
      3  -0.120303D+01 -0.403021D+01 -0.674365D+01  0.374195D+00 -0.419366D+01
      4  -0.224338D+01  0.116334D+02  0.197225D+02 -0.348829D+01  0.123516D+02
      5   0.951805D+00 -0.134955D+01 -0.202111D+01  0.291013D+01 -0.137097D+01
      6  -0.184696D+01 -0.260983D+01 -0.415224D+01  0.319559D+01 -0.296377D+01
                86            87            88            89            90 
      1  -0.417451D+02  0.807416D+01  0.207166D+01  0.860337D+01 -0.190851D+01
      2   0.587264D+02 -0.904044D+01 -0.303494D+01 -0.109923D+02  0.250838D+01
      3  -0.169813D+02  0.966285D+00  0.963286D+00  0.238892D+01 -0.599879D+00
      4   0.276184D+02 -0.462434D+01 -0.329530D+01 -0.515970D+01  0.313565D+01
      5  -0.202519D+01  0.206067D+01  0.887250D+00  0.289370D+01 -0.141938D+01
      6  -0.112652D+02  0.850758D+01  0.959159D+00  0.423379D+01 -0.261271D+01
                91            92            93            94            95 
      1  -0.765818D+01  0.208182D+01 -0.159679D+02 -0.680765D+01 -0.269935D+01
      2   0.148476D+02  0.227967D+01  0.632003D+00  0.135377D+02 -0.109073D+02
      3  -0.718937D+01 -0.436149D+01  0.153359D+02 -0.673002D+01  0.136066D+02
      4  -0.590287D+01 -0.150438D+02 -0.410552D+01 -0.174405D+02  0.370958D+02
      5   0.371346D+00 -0.502814D+01 -0.238631D+02  0.209478D+01 -0.146293D+02
      6  -0.567819D+01  0.205164D+01  0.112962D+01 -0.479962D+01  0.339350D+01
                96            97            98            99           100 
      1  -0.227943D+01 -0.149690D+01 -0.445412D+01 -0.224163D+02 -0.811314D+02
      2   0.110265D+01 -0.145505D+02  0.924916D+01  0.225816D+02  0.458817D+02
      3   0.117678D+01  0.160474D+02 -0.479503D+01 -0.165307D+00  0.352497D+02
      4  -0.166110D+02 -0.897404D+01 -0.166565D+02 -0.445551D+01  0.131831D+02
      5  -0.664357D+01 -0.694357D+02  0.153999D+01  0.183930D+02  0.435249D+02
      6   0.461349D+01  0.249120D+01 -0.117214D+01 -0.151976D+01 -0.450646D+01
               101           102           103           104           105 
      1   0.836503D+01  0.316591D+02  0.514683D+01  0.312139D+02  0.932903D+01
      2  -0.375205D+01 -0.848102D+01 -0.669228D+01 -0.520753D+01  0.436530D+00
      3  -0.461298D+01 -0.231781D+02  0.154544D+01 -0.260064D+02 -0.976556D+01
      4   0.184350D+02  0.111188D+01  0.174894D+02 -0.152461D+02  0.247572D+02
      5   0.675672D+00  0.116885D+02 -0.173557D+00  0.166362D+02  0.833303D+01
      6  -0.116776D+02 -0.320736D+01 -0.623049D+01  0.391378D+01 -0.203130D+02
               106           107           108           109           110 
      1   0.317846D+01  0.859200D+01  0.213904D+02 -0.794861D+02 -0.262343D+02
      2   0.188981D+02 -0.341195D+01 -0.239276D+02  0.297131D+02  0.445327D+01
      3  -0.220765D+02 -0.518005D+01  0.253724D+01  0.497730D+02  0.217810D+02
      4   0.238427D+01  0.200726D+02  0.459743D+01 -0.446211D+02 -0.255776D+02
      5   0.442690D+02  0.135770D+01 -0.317852D+02  0.120414D+01 -0.125384D+01
      6  -0.395000D+01 -0.143420D+02 -0.754118D+01 -0.880986D+00  0.193688D+01
               111           112           113           114           115 
      1   0.173093D+01 -0.340928D+02 -0.148678D+02  0.950187D+01  0.424591D+02
      2  -0.188885D+01  0.668828D+01  0.540699D+01 -0.416257D+00 -0.206880D+02
      3   0.157923D+00  0.274045D+02  0.946082D+01 -0.908562D+01 -0.217711D+02
      4   0.156914D+01 -0.104715D+02 -0.223920D+02  0.911333D+01  0.197683D+02
      5   0.103888D+01 -0.336022D+01  0.673426D+01 -0.325387D+01  0.294163D+02
      6  -0.388958D+01  0.375228D+01 -0.367974D+01  0.588931D+00  0.498769D+01
               116           117           118           119           120 
      1   0.776972D+01  0.267278D+02  0.772087D+01 -0.954167D+01  0.503746D+01
      2  -0.319424D+01 -0.459213D+01  0.292525D+01  0.317377D-01 -0.140906D+01
      3  -0.457548D+01 -0.221357D+02 -0.106461D+02  0.950993D+01 -0.362840D+01
      4   0.166009D+02  0.680268D+01 -0.210924D+02  0.214632D+02 -0.102576D+01
      5   0.403237D+01  0.182038D+01  0.575832D+01 -0.610850D+00  0.103229D+02
      6  -0.372190D+00 -0.924432D+00 -0.159412D+01  0.565975D+00 -0.787088D+00
               121           122           123           124           125 
      1  -0.166317D+02 -0.173564D+01 -0.642413D+00  0.658378D+01  0.176674D+01
      2   0.250881D+01  0.198823D+02 -0.308257D+01 -0.222838D+01 -0.483486D+01
      3   0.141229D+02 -0.181467D+02  0.372498D+01 -0.435540D+01  0.306812D+01
      4   0.240520D+02 -0.499399D+02  0.800053D+01 -0.311257D+01  0.115361D+02
      5  -0.193226D+01  0.728320D+01 -0.103311D+02  0.124371D+02 -0.803021D+01
      6   0.764796D+00 -0.271905D+01  0.437048D+01 -0.258885D+01  0.656440D+01
               126           127           128           129           130 
      1   0.242030D+01  0.104042D+01  0.638527D+01 -0.888866D+01  0.998765D+01
      2  -0.838887D+00 -0.444126D+00 -0.271897D+01  0.178405D+00 -0.654294D+01
      3  -0.158142D+01 -0.596295D+00 -0.366630D+01  0.871026D+01 -0.344471D+01
      4  -0.863059D+01  0.347905D+01 -0.487085D+01  0.158184D+01  0.119585D+01
      5   0.325804D+01 -0.144072D+01 -0.811755D+00 -0.462144D+01 -0.959260D+01
      6  -0.268637D+01 -0.305051D+01  0.467166D+01 -0.183797D+01  0.219044D+00
               131           132           133           134           135 
      1  -0.162714D+02  0.889260D+01 -0.357170D+01  0.546492D+01 -0.114764D+02
      2   0.574653D+01  0.343412D+01  0.991463D+00  0.159955D+01 -0.146546D+01
      3   0.105248D+02 -0.123267D+02  0.258024D+01 -0.706448D+01  0.129419D+02
      4   0.293095D+02 -0.161646D+02 -0.827001D+00 -0.109390D+02  0.823942D+01
      5  -0.121737D+02  0.168258D+02  0.211490D+01  0.652031D+01 -0.928083D+01
      6  -0.198232D+02  0.136271D+02  0.407934D+00  0.109441D+02 -0.701045D+01
               136           137           138           139           140 
      1   0.117435D+03 -0.648111D+01 -0.215654D+02 -0.483226D+01  0.651584D+01
      2  -0.711541D+02  0.304997D+01  0.198534D+02  0.143386D+01 -0.421976D+01
      3  -0.462808D+02  0.343114D+01  0.171208D+01  0.339840D+01 -0.229608D+01
      4  -0.142440D+02  0.121844D+02  0.401329D+01  0.153860D+02 -0.136978D+01
      5  -0.685711D+02  0.455342D+01  0.314249D+02  0.282586D+01 -0.718416D+01
      6   0.609654D+01 -0.428209D+01 -0.239670D+01 -0.469529D+01  0.335009D+00
               141           142           143           144           145 
      1   0.266349D-01 -0.798392D+01 -0.138470D+01  0.847874D+01 -0.622683D+00
      2  -0.124930D+00  0.862741D+01  0.658450D-01 -0.717531D+01 -0.110514D+01
      3   0.982950D-01 -0.643489D+00  0.131885D+01 -0.130343D+01  0.172783D+01
      4  -0.592180D+01 -0.655993D-01 -0.349271D+01 -0.102481D+01 -0.374675D+01
      5  -0.102389D+01  0.178950D+02 -0.321038D+00 -0.777917D+01 -0.323113D+01
      6   0.433487D+01 -0.638892D+00  0.270011D+01  0.115349D+01  0.443689D+01
               146           147           148           149           150 
      1  -0.104465D+02 -0.162359D+02 -0.851867D+01 -0.198424D+02 -0.178305D+02
      2   0.376038D+01  0.156243D+01  0.534720D+01  0.799099D+01  0.227830D+00
      3   0.668615D+01  0.146734D+02  0.317146D+01  0.118514D+02  0.176027D+02
      4  -0.510451D+01 -0.328567D+01  0.248148D+01 -0.194569D+02 -0.190131D+02
      5  -0.851892D+00 -0.655035D+01  0.720827D+01 -0.150168D+02 -0.211683D+02
      6   0.702647D+01  0.650249D+01  0.139764D+00  0.187407D+02  0.200339D+02
               151           152           153           154           155 
      1  -0.570447D+01 -0.130867D+02 -0.254237D+02  0.170452D+03  0.368939D+02
      2   0.212549D+01 -0.164447D+00 -0.356924D+01 -0.756414D+02 -0.106435D+02
      3   0.357898D+01  0.132511D+02  0.289930D+02 -0.948106D+02 -0.262504D+02
      4   0.188472D+01 -0.139326D+02 -0.149244D+02  0.634380D+02  0.439604D+02
      5   0.412588D+01 -0.128591D+02 -0.234906D+02  0.132622D+02  0.506514D+01
      6   0.588003D+00  0.154274D+02  0.182854D+02  0.324306D+00  0.966069D+00
               156           157           158           159           160 
      1  -0.390026D+01  0.496442D+02  0.343813D+02 -0.388840D+01 -0.820257D+01
      2  -0.193444D+01 -0.110081D+02 -0.260267D+01 -0.657969D+00  0.253242D+00
      3   0.583470D+01 -0.386361D+02 -0.317786D+02  0.454636D+01  0.794933D+01
      4   0.156534D+01  0.629297D+02  0.519303D+02 -0.455427D+01 -0.599161D+01
      5   0.307668D+02  0.226999D+01  0.227247D+00  0.142852D+02  0.291482D+02
      6   0.546674D+01  0.386651D+01  0.344987D+01  0.630831D+01  0.688315D+01
               161           162           163           164           165 
      1  -0.347866D+01  0.168296D+02  0.513164D+02  0.151404D+02  0.111446D+02
      2  -0.873858D+00 -0.959261D+01 -0.329812D+02 -0.567851D+01 -0.944461D+01
      3   0.435252D+01 -0.723697D+01 -0.183352D+02 -0.946192D+01 -0.169997D+01
      4  -0.975570D+01  0.110059D+02  0.278610D+02  0.119596D+02  0.187211D+01
      5   0.101904D+02 -0.757516D+01  0.302481D+02  0.333512D+01  0.187171D+02
      6   0.512301D+01 -0.450232D+00  0.108867D+02  0.194102D+01  0.889330D+00
               166           167           168           169           170 
      1   0.209110D+02 -0.492287D+01 -0.950237D+01 -0.133028D+02 -0.799274D+01
      2  -0.108292D+02  0.237580D+01  0.148749D+01  0.154460D+01  0.234857D+01
      3  -0.100819D+02  0.254707D+01  0.801488D+01  0.117582D+02  0.564417D+01
      4   0.133431D+02  0.779574D+01  0.114481D+02 -0.656653D+01  0.167778D+01
      5   0.125239D+02  0.122054D+02  0.114354D+02  0.140456D+02  0.388357D+01
      6   0.324249D+01  0.695725D+01  0.122064D+02 -0.527515D+00  0.959695D+01
               171           172           173           174           175 
      1  -0.302095D+02 -0.473780D+02 -0.882587D+01  0.102806D+02 -0.210853D+02
      2  -0.153278D+02  0.263238D+02  0.394502D+01  0.397593D+01  0.139736D+02
      3   0.455373D+02  0.210542D+02  0.488085D+01 -0.142565D+02  0.711170D+01
      4   0.197301D+01 -0.215053D+02 -0.827119D+01 -0.183163D+01 -0.111174D+02
      5   0.464913D+02 -0.218770D+02 -0.478475D+01 -0.152985D+02 -0.125086D+02
      6   0.844280D+01 -0.816174D+01 -0.443820D+01 -0.279543D+01 -0.398590D+01
               176           177           178           179           180 
      1  -0.926526D+01  0.268382D+01 -0.206722D+01  0.900146D+00 -0.123095D+02
      2   0.475472D+01  0.336001D+01  0.796094D+01  0.540988D+00  0.327522D+01
      3   0.451055D+01 -0.604383D+01 -0.589371D+01 -0.144113D+01  0.903431D+01
      4  -0.434873D+01  0.176843D+01 -0.536844D+01 -0.393326D+00 -0.393367D+01
      5   0.753267D+00 -0.921008D+01 -0.869000D+01 -0.173543D+01  0.126773D+01
      6  -0.249495D+01  0.243471D+01 -0.263705D+01  0.166911D+01 -0.230834D+01
               181           182           183           184           185 
      1   0.393757D+02  0.533821D+02 -0.116721D+02 -0.399802D+02  0.170492D+02
      2  -0.257594D+02 -0.404940D+02  0.353492D+01  0.274168D+02 -0.204034D+02
      3  -0.136163D+02 -0.128881D+02  0.813716D+01  0.125634D+02  0.335414D+01
      4   0.847829D+01  0.315296D+02 -0.673380D+01  0.111078D+02  0.239310D+02
      5   0.110593D+01 -0.976086D+01  0.160743D+02  0.286757D+01 -0.107140D+02
      6  -0.207519D+01  0.680523D+01 -0.144223D+02 -0.700922D+01  0.899535D+01
               186           187           188           189           190 
      1  -0.210718D+01  0.752432D+01 -0.951223D+01 -0.373411D-01  0.947134D+02
      2   0.431224D+01 -0.136041D+02  0.143199D+02 -0.477792D+01 -0.531516D+02
      3  -0.220507D+01  0.607982D+01 -0.480771D+01  0.481526D+01 -0.415617D+02
      4  -0.110249D+02 -0.505452D+00 -0.137586D+02 -0.210399D+02 -0.120072D+02
      5  -0.837912D+01  0.310208D+02 -0.198666D+02  0.856681D+01  0.792801D+01
      6   0.532809D+01 -0.226453D+02  0.177240D+02  0.269936D-01 -0.113223D+00
               191           192           193           194           195 
      1  -0.213000D+02 -0.111633D-01 -0.864858D+02 -0.326632D+02  0.153481D+02
      2   0.567859D+01 -0.121853D+01  0.470319D+02  0.388625D+02 -0.166522D+02
      3   0.156214D+02  0.122970D+01  0.394539D+02 -0.619929D+01  0.130410D+01
      4   0.144476D+02 -0.115133D+01 -0.377448D+02 -0.530324D+02  0.982330D+01
      5  -0.141318D+01  0.751186D+01  0.177747D+02  0.864033D+01 -0.788161D+01
      6   0.321459D+01 -0.238721D+01  0.184473D+01 -0.112463D+02 -0.502266D+01
               196           197           198           199           200 
      1   0.159929D+02  0.104860D+02  0.207434D+02 -0.115771D+03 -0.212517D+01
      2  -0.945483D+01 -0.894082D+01 -0.186202D+02  0.546675D+02  0.826111D+01
      3  -0.653810D+01 -0.154521D+01 -0.212314D+01  0.611036D+02 -0.613593D+01
      4   0.162469D+02  0.581640D+01 -0.757184D+01 -0.860187D+01 -0.220570D+02
      5   0.477666D+02 -0.134940D+02  0.168727D+01  0.282953D+01  0.961784D+01
      6  -0.433361D+01  0.781945D+01  0.350837D+01  0.754918D+01 -0.409285D+01
               201           202           203           204           205 
      1   0.763641D+01  0.113632D+03  0.558059D+01 -0.876540D+01 -0.128553D+02
      2  -0.479431D+01 -0.714952D+02 -0.158389D+02  0.881901D+01  0.103412D+02
      3  -0.284210D+01 -0.421372D+02  0.102583D+02 -0.536091D-01  0.251413D+01
      4   0.779084D+01  0.168966D+02  0.213782D+02  0.179533D+01  0.377647D+00
      5   0.554715D+01 -0.295549D+01  0.254932D+01  0.142498D+02  0.698263D+01
      6   0.167368D+01  0.380016D+01  0.964183D+01  0.683361D+01  0.305983D+01
               206           207           208           209           210 
      1  -0.661308D+00 -0.102445D+02  0.341010D+02 -0.786289D+01  0.176080D+01
      2   0.342973D+01 -0.689548D+01 -0.186142D+02  0.424301D+01  0.142398D+01
      3  -0.276843D+01  0.171399D+02 -0.154867D+02  0.361988D+01 -0.318477D+01
      4   0.606555D+01  0.182208D+02 -0.210958D+02  0.951657D+01  0.322831D+01
      5   0.214178D+02 -0.962671D+01  0.410197D-01  0.260034D+01  0.209332D+02
      6   0.669126D+01  0.769995D+00  0.183950D+01 -0.114458D+01  0.107421D+01
               211           212           213           214           215 
      1  -0.587443D+01  0.438043D+01  0.208495D+01  0.501955D+00 -0.442818D+00
      2   0.687150D+00  0.174656D+00  0.352189D+01 -0.175258D-01  0.152644D+01
      3   0.518728D+01 -0.455509D+01 -0.560684D+01 -0.484429D+00 -0.108362D+01
      4   0.360302D+02 -0.204514D+02  0.394653D+01 -0.390223D+01  0.111629D+01
      5  -0.252296D+01  0.577839D+01  0.152417D+02  0.103601D+02 -0.698725D+01
      6  -0.793579D+00  0.306975D+01  0.100288D+02 -0.261194D+01  0.422439D+01
               216           217           218           219           220 
      1   0.258551D+01 -0.777457D+02  0.255921D+02  0.263405D+01  0.273805D+02
      2  -0.129687D+01  0.429184D+02 -0.130039D+02 -0.532530D+00 -0.120484D+02
      3  -0.128864D+01  0.348273D+02 -0.125882D+02 -0.210152D+01 -0.153321D+02
      4  -0.754687D+01  0.328025D+02  0.194812D+02 -0.736211D+01 -0.177029D+02
      5  -0.292621D+01  0.110690D+01 -0.705244D+01  0.107443D+02 -0.792131D+01
      6  -0.272484D+01 -0.377261D+01 -0.100303D+01  0.307143D+01 -0.413121D+01
               221           222           223           224           225 
      1   0.513135D+01 -0.973600D+01 -0.112298D+01 -0.636876D+01  0.127347D+02
      2  -0.475608D+01 -0.524224D+01 -0.551530D+01 -0.335046D+01 -0.413805D+01
      3  -0.375265D+00  0.149782D+02  0.663828D+01  0.971922D+01 -0.859665D+01
      4  -0.106338D+02 -0.210014D+02 -0.716196D+01 -0.177770D+02 -0.421898D+02
      5  -0.215314D+02 -0.689646D+02 -0.182161D+02 -0.403279D+02  0.286608D+02
      6  -0.509655D+01 -0.171295D+02 -0.112853D+02 -0.116001D+02  0.853740D+01
               226           227           228           229           230 
      1  -0.879174D+01 -0.188789D+02  0.437466D+01 -0.104497D+02 -0.487060D+02
      2   0.952802D+01  0.202124D+02 -0.339679D+01  0.114985D+02  0.578054D+02
      3  -0.736275D+00 -0.133354D+01 -0.977870D+00 -0.104887D+01 -0.909938D+01
      4   0.395967D+01  0.693968D+01 -0.109111D+01  0.285192D+01 -0.375955D+01
      5  -0.407637D+00 -0.622222D+00  0.140667D+01  0.221923D+00  0.219424D+01
      6  -0.281462D+01 -0.520474D+01  0.345839D+01 -0.297130D+01 -0.139957D+02
               231           232           233           234           235 
      1   0.986905D+01  0.271439D+01  0.102399D+02 -0.209550D+01  0.180536D+02
      2  -0.885709D+01 -0.288530D+01 -0.107331D+02  0.250084D+01  0.201688D+01
      3  -0.101197D+01  0.170910D+00  0.493262D+00 -0.405342D+00 -0.200705D+02
      4   0.969894D+00 -0.338740D+00  0.582073D+00  0.929362D+00 -0.396432D+02
      5  -0.139560D+01  0.229533D+01  0.434689D-01 -0.361740D+00  0.634822D+01
      6   0.886875D+01  0.146168D+00  0.518783D+01 -0.276488D+01 -0.288440D+01
               236           237           238           239           240 
      1  -0.106581D+02  0.116834D+01 -0.744147D+01 -0.402471D+01  0.362316D+00
      2  -0.739813D+01  0.128845D+00 -0.144047D+02  0.320924D+02 -0.214322D+01
      3   0.180562D+02 -0.129718D+01  0.218462D+02 -0.280677D+02  0.178091D+01
      4   0.392133D+02 -0.403003D+01  0.458278D+02 -0.629883D+02  0.740746D+01
      5  -0.563915D+01  0.538891D+01 -0.830040D+01  0.100775D+02 -0.705811D+01
      6   0.305300D+01 -0.344445D+01  0.637638D+01 -0.829993D+01  0.694618D+01
               241           242           243           244           245 
      1  -0.160585D+00  0.102791D+01 -0.167184D+01  0.184351D+02  0.116916D+02
      2   0.342943D+01 -0.413895D+01  0.233145D+01 -0.727299D+01 -0.389088D+01
      3  -0.326884D+01  0.311104D+01 -0.659609D+00 -0.111621D+02 -0.780074D+01
      4  -0.581764D+01  0.807537D+01 -0.347550D+01  0.207586D+02  0.153308D+02
      5  -0.236797D+00 -0.293800D+01  0.163091D+01 -0.461520D+01 -0.299186D+01
      6   0.760599D+00  0.320944D+01 -0.189620D+01 -0.114040D+01 -0.109625D+01
               246           247           248           249           250 
      1  -0.327456D+01  0.139314D+02 -0.353040D+00 -0.759031D+00 -0.388009D+01
      2   0.153714D+01 -0.813873D+00  0.115680D+02 -0.435318D+00  0.140551D+01
      3   0.173742D+01 -0.131176D+02 -0.112149D+02  0.119435D+01  0.247458D+01
      4  -0.366365D+01  0.265768D+02  0.363604D+02 -0.735663D+01 -0.610098D+01
      5   0.268219D+01 -0.517295D+01 -0.590971D+01  0.492732D+01  0.153147D+01
      6   0.100651D+01 -0.257160D+01 -0.412354D+01  0.432622D+01  0.205937D+01
               251           252           253           254           255 
      1  -0.106864D+01 -0.941187D+00 -0.236680D+01 -0.995193D-02 -0.110505D+02
      2  -0.106802D+01  0.188866D+01  0.689825D+00 -0.217503D+00  0.288602D+01
      3   0.213666D+01 -0.947468D+00  0.167698D+01  0.227455D+00  0.816446D+01
      4  -0.769788D+01  0.181472D+01 -0.390841D+01 -0.229964D+01 -0.206543D+00
      5   0.270270D+00 -0.841569D+00 -0.581663D+01  0.171412D+00 -0.788683D+01
      6   0.180862D+01 -0.169895D+01 -0.896420D+00  0.912394D+00 -0.302000D+01
               256           257           258           259           260 
      1   0.536222D+01  0.115081D+01  0.515086D+00 -0.309728D+02 -0.278289D+01
      2  -0.331931D+01  0.157263D+00  0.101052D+01  0.222199D+02  0.329341D+01
      3  -0.204291D+01 -0.130807D+01 -0.152561D+01  0.875286D+01 -0.510516D+00
      4   0.172416D+02  0.172081D+02 -0.167830D+02 -0.180140D+02 -0.162116D+02
      5  -0.121003D+02 -0.152880D+02  0.286228D+02  0.370657D+02  0.241803D+02
      6  -0.446477D+01 -0.675344D+01  0.117162D+02  0.992932D+01  0.101406D+02
               261           262           263           264           265 
      1  -0.197938D+01  0.209968D+03 -0.152247D+02 -0.845946D+01 -0.427389D+02
      2  -0.135903D+02 -0.110522D+03  0.892138D+01  0.530325D+01  0.235317D+02
      3   0.155697D+02 -0.994466D+02  0.630327D+01  0.315621D+01  0.192072D+02
      4   0.267541D+02 -0.580307D+01  0.148897D+02  0.980357D+00  0.204884D+02
      5  -0.688297D+02 -0.123539D+02  0.160559D+01  0.172616D+02  0.334932D+01
      6  -0.164656D+02  0.192365D+01 -0.899160D+00  0.524010D+00 -0.146004D+01
               266           267           268           269           270 
      1   0.185810D+02  0.203518D+01 -0.306162D+01  0.623018D+00  0.151943D+02
      2  -0.904122D+01 -0.987732D+00  0.263276D+01  0.150097D+00 -0.918329D+01
      3  -0.953980D+01 -0.104745D+01  0.428853D+00 -0.773115D+00 -0.601096D+01
      4  -0.957619D+01  0.543818D+00  0.106893D+01  0.159288D+01  0.193977D+01
      5   0.228451D+00 -0.249785D+01  0.230253D+02  0.107480D+01 -0.400184D+01
      6   0.102115D+01  0.145467D+01  0.354437D+00  0.204945D+01 -0.345586D+00
               271           272           273           274           275 
      1   0.546628D+01  0.457283D+01  0.902021D+01  0.212289D+02  0.865594D+01
      2  -0.169437D+01 -0.228793D+01 -0.479345D+01 -0.627178D+01  0.513987D+01
      3  -0.377191D+01 -0.228490D+01 -0.422675D+01 -0.149571D+02 -0.137958D+02
      4   0.241509D+01  0.140557D+01  0.221428D+01  0.351845D+02  0.424907D+02
      5   0.896583D+01  0.127137D+01 -0.416256D+01  0.170279D+02  0.259564D+02
      6   0.184568D+01 -0.196918D+00 -0.205359D+01  0.671474D+01  0.910623D+01
               276           277           278           279 
      1   0.363702D+01  0.336970D+02  0.753706D+01  0.180573D+01
      2   0.320303D+01 -0.151988D+02 -0.174050D+00 -0.244010D+01
      3  -0.684005D+01 -0.184983D+02 -0.736301D+01  0.634377D+00
      4   0.265315D+02  0.261681D+02  0.280055D+02  0.284174D+02
      5   0.301151D+02  0.258116D+02  0.273924D+02  0.365145D+02
      6   0.976796D+01  0.926876D+01  0.983050D+01  0.103093D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.203986D+01      0.518480D+01      0.172946D+02
   y          0.124898D+01      0.317459D+01      0.105893D+02
   z          0.279794D+00      0.711167D+00      0.237220D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.269967D+03      0.400049D+02      0.445115D+02
   yx        -0.874666D+01     -0.129612D+01     -0.144213D+01
   yy         0.163260D+03      0.241926D+02      0.269179D+02
   zx        -0.992469D+01     -0.147069D+01     -0.163636D+01
   zy        -0.770018D+01     -0.114105D+01     -0.126959D+01
   zz         0.112642D+03      0.166918D+02      0.185721D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204618D+03      0.303213D+02      0.337369D+02
   aniso      0.166390D+03      0.246564D+02      0.274339D+02
   xx         0.308395D+03      0.456994D+02      0.508475D+02
   yx        -0.125800D+02     -0.186416D+01     -0.207416D+01
   yy         0.181233D+03      0.268560D+02      0.298813D+02
   zx        -0.104217D+02     -0.154433D+01     -0.171830D+01
   zy        -0.848109D+01     -0.125677D+01     -0.139834D+01
   zz         0.124226D+03      0.184084D+02      0.204821D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.36125389         -1.41816607          0.38114616
     6          0.33537355          0.10439936          2.60215662
     6         -0.74473635         -0.48473850         -1.85458977
     6         -1.84788188          1.87242791         -1.95451860
     6         -1.85617608          3.37046125          0.25640695
     6         -0.80238746          2.51602034          2.46521111
     6          1.50757576         -3.83826483          0.50840758
     1         -0.70548700         -1.66899112         -3.52681280
     1         -2.71980433          5.22583667          0.19444790
     1         -0.83238018          3.69427354          4.13872995
     6         -3.06978166          2.83128605         -4.35832183
     6         -5.50723755          1.41894889         -5.01119237
     6         -1.26410705          2.87514876         -6.62690359
     1         -3.54284398          4.82613786         -4.06114158
     1         -5.12520359         -0.57863706         -5.34009455
     1         -6.35551079          2.19350511         -6.71679318
     1         -6.84621825          1.57249724         -3.45338823
     8         -1.92144060          2.57213029         -8.77187145
     8          1.17958667          3.40782598         -6.09285575
     1          1.42811583          3.39760480         -4.27866804
     6          2.55994471         -4.69700004          2.69697929
     6          2.53035262         -3.17759881          4.90482844
     6          1.44023797         -0.82133312          4.85845617
     8          3.63768205         -4.24871136          6.95464317
     6          3.69006929         -2.84861559          9.23896650
     1          1.53839465         -5.00695397         -1.17125557
     1          3.43762807         -6.53934371          2.81107885
     1          1.39938037          0.36530291          6.51867992
     1          4.73574033         -1.08085059          9.00807832
     1          4.64842044         -4.03782764         10.61233927
     1          1.77813230         -2.43037751          9.90326749

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.240816D+01      0.612094D+01      0.204172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.143884D+03      0.213215D+02      0.237233D+02
   yx        -0.390564D+02     -0.578757D+01     -0.643954D+01
   yy         0.173411D+03      0.256968D+02      0.285916D+02
   zx         0.490059D+02      0.726192D+01      0.807998D+01
   zy        -0.301572D+02     -0.446884D+01     -0.497226D+01
   zz         0.228573D+03      0.338710D+02      0.376866D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204618D+03      0.303213D+02      0.337369D+02
   aniso      0.166390D+03      0.246564D+02      0.274339D+02
   xx         0.160741D+03      0.238193D+02      0.265026D+02
   yx        -0.461030D+02     -0.683177D+01     -0.760137D+01
   yy         0.195537D+03      0.289755D+02      0.322396D+02
   zx         0.571060D+02      0.846223D+01      0.941550D+01
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 ----------------------------------------------------------------------
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 THE SECRET OF SUCCESS IN LIFE IS TO EAT WHAT YOU LIKE, AND LET THE FOOD
 FIGHT IT OUT INSIDE YOU. -- FROM A FORTUNE COOKIE
 Job cpu time:       0 days 12 hours 27 minutes 34.9 seconds.
 Elapsed time:       0 days  1 hours 33 minutes 41.2 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:30:50 2021.
